Tenacissoside H

Basic Information

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CAS Number

191729-45-0

Molecular Formula

C42H66O14

Molecular Weight

794.97 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Physical State

Powder

Solubility

Methanol; Acetontrile; DMSO

SMILES

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CCC(C(=O)O[C@@H]1[C@@H](OC(=O)C)[C@]2(C)[C@@H](CC[C@@]32[C@]2([C@H]1[C@@]1(C)CC[C@@H](C[C@@H]1CC2)O[C@H]1C[C@@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)OC)O)O3)C(=O)C)C

InChI

InChI=1S/C42H66O14/c1-11-20(2)37(47)54-34-35-39(7)15-13-26(53-29-19-28(48-9)32(23(5)50-29)55-38-31(46)33(49-10)30(45)22(4)51-38)18-25(39)12-16-41(35)42(56-41)17-14-27(21(3)43)40(42,8)36(34)52-24(6)44/h20,22-23,25-36,38,45-46H,11-19H2,1-10H3/t20?,22-,23-,25+,26+,27+,28-,29+,30-,31-,32-,33-,34+,35-,36-,38+,39+,40+,41+,42-/m1/s1

InChIKey

HRSFCYYMBMDMOU-ZIAOJATMSA-N

LogP

4.021000000000004

Topological Polar Surface Area

178.04 Å²

Hydrogen Bond Donor/Acceptor

2 / 14

Complexity

1490

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Tenacissoside H
(3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-(Acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabinohexopyranosyl]oxy]-8,14-epoxy-11-(2-methyl-1-oxobutox
RUBIMAILLIN
Tenacissimoside C
(3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-(Acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabinohexopyranosyl]oxy]-8,14-epoxy-11-(2-methyl-1-oxobutoxy)pregnan-20-one
[(3R,6R,7S,8S,9S,10S,11S,14S,16S)-6-Acetyl-8-acetyloxy-14-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dih