3-Hydroxytirucallic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H48O3
Molecular Weight	456.7003
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@]4([H])CC3)[C@H](CCC=C(C)C)C(O)=O

InChI

InChIKey=NBSBUIQBEPROBM-IMJUUJEHSA-N

InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,25+,28+,29-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H48O3
Molecular Weight	456.7003
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:33:26 GMT 2023` Edited by `admin` on `Sat Dec 16 15:33:26 GMT 2023`
Record UNII	8L9Q67LR3K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Hydroxytirucallic acid

Common Name

English

(3α,13α,14β,17α,20S)-3-Hydroxylanosta-8,24-dien-21-oic acid

Systematic Name

English

13α,14β,17βH-Lanosta-8,24-dien-21-oic acid, 3α-hydroxy-, (20S)-

Systematic Name

English

3α-Hydroxytirucalla-8,24-dien-21-oic acid

Systematic Name

English

(2R)-6-METHYL-2-((3R,5R,10R,13R,14S,17R)-4,4,10,13,14-PENTAMETHYL-3-OXIDANYL-2,3,5,6,7,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)HEPT-5-ENOIC ACID

Systematic Name

English

Lanosta-8,24-dien-21-oic acid, 3-hydroxy-, (3α,13α,14β,17α,20S)-

Systematic Name

English

α-Elemolic acid

Common Name

English

Code System Code Type Description

CAS

28282-27-1

Created by admin on Sat Dec 16 15:33:26 GMT 2023 , Edited by admin on Sat Dec 16 15:33:26 GMT 2023

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FDA UNII

8L9Q67LR3K

Created by admin on Sat Dec 16 15:33:26 GMT 2023 , Edited by admin on Sat Dec 16 15:33:26 GMT 2023

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EPA CompTox

DTXSID201317040

Created by admin on Sat Dec 16 15:33:26 GMT 2023 , Edited by admin on Sat Dec 16 15:33:26 GMT 2023

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PUBCHEM

441677

Created by admin on Sat Dec 16 15:33:26 GMT 2023 , Edited by admin on Sat Dec 16 15:33:26 GMT 2023

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