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(3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone | CAS No. 4530-21-6

(3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Basic Information

Chemical_Structure_Of
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CAS Number

4530-21-6

Molecular Formula

C35H61N3O9

Molecular Weight

667.89 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Esters
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

DMSO: soluble10mg/mL

SMILES

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CCC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C(C)CC)C)C(C)C

InChI

InChI=1S/C35H61N3O9/c1-16-22(11)25-34(43)46-27(19(5)6)30(39)36(13)24(18(3)4)33(42)45-28(20(7)8)31(40)37(14)26(23(12)17-2)35(44)47-29(21(9)10)32(41)38(25)15/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1

InChIKey

OWUREPXBPJFMOK-CIRFPNLUSA-N

LogP

3.932600000000005

Topological Polar Surface Area

139.83000000000004 Ų

Hydrogen Bond Donor/Acceptor

0 / 12

Complexity

1120

Safety Information

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Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

  • (3S,6R,9S,12R,15S,18R)-3,9-di[(2S)-butan-2-yl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
  • AKOS040733105
  • Enniatin A1 Solution in Acetonitrile, 100ug/mL
  • 1ST001559-100
  • BE162721
  • UNII-39458RI529
  • 1ST001559
  • 4530-21-6
  • Q27133363
  • NS00094903
  • Enniatin A1
  • 39458RI529
  • CHEBI:64652
  • (3S,6R,9S,12R,15S,18R)-3,9-bis[(2S)-butan-2-yl]-4,10,16-trimethyl-6,12,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
  • DTXSID50891864
  • Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl)
  • Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl]
  • ENNIATIN A1

MDL Number

MFCD14635385

FAQ

What is (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6)?
The compound (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone, with CAS number 4530-21-6, is a complex cyclic compound with multiple chiral centers. It is characterized by its unique structure with multiple alkyl substituents and a specific stereochemistry. This compound is primarily used in pharmaceuticals and research due to its structural complexity and potential biological activity.

What are the main uses of (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6)?
The compound (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6) is primarily used in the pharmaceutical industry for research and development purposes. It is also of interest in chemical synthesis due to its complex structure and potential use in creating novel compounds.

Is (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6) safe?
The safety of (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6) depends on its specific use and handling. It is generally considered safe when handled with appropriate protective measures, such as wearing gloves and goggles. However, it is important to follow all safety guidelines and consult the Material Safety Data Sheet (MSDS) for detailed safety information.

How should (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6) be stored?
The compound (3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (CAS: 4530-21-6) should be stored in a cool, dry place, away from direct sunlight and heat. It is recommended to store it in a tightly sealed container to prevent degradation. Specific storage conditions should be followed based on the manufacturer’s recommendations and the MSDS.

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(3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone — Shanghai Yuyeh Biotechnology Co., Ltd.

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(3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone — Shanghai Jixiang Biotechnology Co., Ltd.

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(3S,6R,9S,12R,15S,18R)-3,9-Di[(2S)-2-butanyl]-6,12,15,18-tetraisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone — Jin Jinle (Hunan) Chemical Co., Ltd.

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ENNIATIN A1 — TOKU-E Company

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