VS-105

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44O4
Molecular Weight	432.6359
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3C[C@@H](O)C(=C)[C@H](O)C3)[C@@H](C)OC[C@H](C)C(C)(C)O

InChI

InChIKey=UECLGFUOBJOZRT-PIOAYZOASA-N

InChI=1S/C27H44O4/c1-17(26(4,5)30)16-31-19(3)22-11-12-23-21(8-7-13-27(22,23)6)10-9-20-14-24(28)18(2)25(29)15-20/h9-10,17,19,22-25,28-30H,2,7-8,11-16H2,1,3-6H3/b21-10+/t17-,19+,22+,23-,24+,25+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H44O4
Molecular Weight	432.6359
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:26:01 GMT 2023` Edited by `admin` on `Sat Dec 16 11:26:01 GMT 2023`
Record UNII	W3DX0X37FV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VS-105

Common Name

English

1,3-CYCLOHEXANEDIOL, 2-METHYLENE-5-((2E)-2-((1S,3AS,7AS)-OCTAHYDRO-1-((1R)-1-((2S)-3-HYDROXY-2,3-DIMETHYLBUTOXY)ETHYL)-7A-METHYL-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3R)-

Systematic Name

English

Code System Code Type Description

CAS

1469985-12-3

Created by admin on Sat Dec 16 11:26:01 GMT 2023 , Edited by admin on Sat Dec 16 11:26:01 GMT 2023

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FDA UNII

W3DX0X37FV

Created by admin on Sat Dec 16 11:26:01 GMT 2023 , Edited by admin on Sat Dec 16 11:26:01 GMT 2023

PRIMARY

PUBCHEM

73357083

Created by admin on Sat Dec 16 11:26:01 GMT 2023 , Edited by admin on Sat Dec 16 11:26:01 GMT 2023

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Related Record Type Details


					W3DX0X37FV

VS-105

ACTIVE MOIETY