(3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-Dihydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one

Basic Information

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CAS Number

38647-10-8

Molecular Formula

C20H24O7

Molecular Weight

376.41 g/mol

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

Basic Physical Properties

Physical State

White cryst.

Melting Point

226-228 ºC

SMILES

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CC(C)C12C(O1)C3C4(O3)C5(CC(C6=C(C5CC7C4(C2O)O7)COC6=O)O)C

InChI

InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1

InChIKey

PUJWFVBVNFXCHZ-SQEQANQOSA-N

LogP

0.07389999999999924

Topological Polar Surface Area

104.35 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

851

Synonyms & References

English

Triptolide, (2.beta.)-
DTXSID401045708
FS-10135
C09202
PUJWFVBVNFXCHZ-SQEQANQOSA-N
NSC 163063
TRISOXIRENO(4B,5:6,7:8A,9)PHENANTHRO(1,2-C)FURAN-1(3H)-ONE, 3B,4,4A,6,6A,7A,7B,8B,9,10-DECAHYDRO-6,10-DIHYDROXY-8B-METHYL-6A-(1-METHYLETHYL)-, (3BS,4AS,5AS,6R,6AR,7AS,7BS,8AS,8BS,10S)-
Triptolide, 2-hydroxy-, (2.beta.)-
38647-10-8
Trisoxireno(4b,5:6,7:8a,9)phenanthro(1,2-c)furan-1(3H)-one, 3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6,10-dihydroxy-8b-methyl-6a-(1- methylethyl)-, (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-
Tripdiolid
7VRC678RTA
(2beta)-2-Hydroxytriptolide
SCHEMBL14097791
Triptolide, 2-hydroxy-, (2-beta)-
NSC163063
Tripdiolide
(1S,2S,4S,5S,7R,8R,9S,11S,13S,19S)-8,19-dihydroxy-1-methyl-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-17-one
CHEBI:9740
Triptodiolide
NSC-163063
AKOS040758654
Q-100448
Q15634170
Triptolide, 2-hydroxy-, (2beta)-
CHEMBL486403
UNII-7VRC678RTA
Rotundine
TRIPDIOLIDE(P)
Phosphine,tris(4-(1-methylethyl)phenyl)
Tri-(p-isopropylphenyl)phosphin

MDL Number

MFCD01677591

Customs Code

2942000000

FAQ

What are the physical and chemical properties of (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-Dihydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one (CAS: 38647-10-8)?

This compound is a crystalline solid with a molecular weight of approximately 512.5 g/mol. It has a low aqueous solubility due to its complex structure. Chemically, it is reactive towards nucleophiles and electrophiles, making it suitable for various synthetic transformations. It exhibits good thermal stability but can decompose under harsh conditions.

How is (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-Dihydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one (CAS: 38647-10-8) typically synthesized?

This compound is typically synthesized via a multistep process involving Michael addition, Diels-Alder reaction, and condensation. Common catalysts include palladium-based catalysts, and the process requires precise control over temperature and reaction time to achieve high selectivity and yield.

What industries use (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-Dihydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one (CAS: 38647-10-8)?

This compound finds applications in the pharmaceutical industry for its potential as a bioactive molecule. It is also used in the development of sensors and as a precursor in the synthesis of complex organic molecules. Its unique structure makes it valuable in polymer synthesis and semiconductor research as well.

What precautions should be taken when handling (3bS,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS,10S)-6,10-Dihydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1(3H)-one (CAS: 38647-10-8)?

Proper handling requires the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Store in a fume hood to avoid inhalation of vapors. In case of a spill, immediately contain it and clean up using appropriate absorbents. Consult the safety data sheet (SDS) for detailed emergency procedures and storage guidelines. Always ensure good ventilation and avoid contact with eyes and skin.