5-((2E)-((3AS,7AS)-1-((1R)-3-((1,1-DIMETHYLETHYL)SULFONYL)-1-METHYLPROPYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-1,3-CYCLOHEXANEDIOL, (1R,3S,5Z)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H42O4S
Molecular Weight	462.685
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of 5-((2E)-((3AS,7AS)-1-((1R)-3-((1,1-DIMETHYLETHYL)SULFONYL)-1-METHYLPROPYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-1,3-CYCLOHEXANEDIOL, (1R,3S,5Z)-

Structure Search

SMILES

C[C@H](CCS(=O)(=O)C(C)(C)C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C

InChI

InChIKey=KBXGPDZPJGFKMO-JGMGOPDFSA-N

InChI=1S/C27H42O4S/c1-18(13-15-32(30,31)26(3,4)5)23-11-12-24-20(8-7-14-27(23,24)6)9-10-21-16-22(28)17-25(29)19(21)2/h9-11,18,22,24-25,28-29H,2,7-8,12-17H2,1,3-6H3/b20-9+,21-10-/t18-,22-,24+,25+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H42O4S
Molecular Weight	462.685
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:09:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:09:00 GMT 2025`
Record UNII	41UB88E0BF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,3-CYCLOHEXANEDIOL, 5-((2E)-2-((3AS,7AS)-1-((1R)-3-((1,1-DIMETHYLETHYL)SULFONYL)-1-METHYLPROPYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-, (1R,3S,5Z)-

Preferred Name

English

5-((2E)-((3AS,7AS)-1-((1R)-3-((1,1-DIMETHYLETHYL)SULFONYL)-1-METHYLPROPYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-1,3-CYCLOHEXANEDIOL, (1R,3S,5Z)-

Common Name

English

5-((2E)-((3AS,7AS)-1-((1R)-3-((1,1-DIMETHYLETHYL)SULFONYL)-1-METHYLPROPYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-4-METHYLENE-1,3-CYCLOHEXANEDIOL, (1R,3S,5Z)-(+)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10695382

Created by admin on Mon Mar 31 22:09:00 GMT 2025 , Edited by admin on Mon Mar 31 22:09:00 GMT 2025

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CAS

250384-79-3

Created by admin on Mon Mar 31 22:09:00 GMT 2025 , Edited by admin on Mon Mar 31 22:09:00 GMT 2025

PRIMARY

FDA UNII

41UB88E0BF

Created by admin on Mon Mar 31 22:09:00 GMT 2025 , Edited by admin on Mon Mar 31 22:09:00 GMT 2025

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