SCOPADULCIC ACID B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34O5
Molecular Weight	438.5559
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H](OC(=O)C3=CC=CC=C3)[C@@]4([H])[C@@](C)(CCC[C@]4(C)[C@]15CC[C@@](C)(C5)C(=O)C2)C(O)=O

InChI

InChIKey=DQBAMWXMUCSBLO-VSQBJKSGSA-N

InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24-,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H34O5
Molecular Weight	438.5559
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:16:43 GMT 2023` Edited by `admin` on `Sat Dec 16 08:16:43 GMT 2023`
Record UNII	ZEO70C5PFT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPADULCIC ACID B

Common Name

English

9,11A-METHANO-11AH-CYCLOHEPTA(A)NAPHTHALENE-4-CARBOXYLIC ACID, 5-(BENZOYLOXY)TETRADECAHYDRO-4,9,11B-TRIMETHYL-8-OXO-, (4R-(4.ALPHA.,4A.ALPHA.,5.BETA.,6A.BETA.,9.BETA.,11A.BETA.,11B.BETA.))-

Systematic Name

English

(4R,4AR,5R,6AS,9S,11AS,11BS)-5-(BENZOYLOXY)TETRADECAHYDRO-4,9,11B-TRIMETHYL-8-OXO-9,11A-METHANO-11AH-CYCLOHEPTA(A)NAPHTHALENE-4-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

ZEO70C5PFT

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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PUBCHEM

11729855

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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EPA CompTox

DTXSID60921505

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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CAS

114804-65-8

Created by admin on Sat Dec 16 08:16:43 GMT 2023 , Edited by admin on Sat Dec 16 08:16:43 GMT 2023

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