VB-102

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O7
Molecular Weight	476.6023
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0
Stereo Comments	Atropisomer of VB-106, axial

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C([C@@H]3C=C(C)CC[C@H]3C(C)=C)C(O)=C1

InChI

InChIKey=BZANYFCNZFMERD-MGQROECQSA-N

InChI=1S/C27H40O7/c1-5-6-7-8-17-12-20(29)23(19-11-16(4)9-10-18(19)15(2)3)21(13-17)33-27-26(32)25(31)24(30)22(14-28)34-27/h11-13,18-19,22,24-32H,2,5-10,14H2,1,3-4H3/t18-,19+,22+,24+,25-,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O7
Molecular Weight	476.6023
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 `Wed Apr 02 14:02:07 GMT 2025` Edited by `admin` on `Wed Apr 02 14:02:07 GMT 2025`
Record UNII	GZ6WF4Q2UM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VB-102

Code

English

VB102

Preferred Name

English

?-D-Glucopyranoside, 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentylphenyl (atropoisomer 1)

Common Name

English

Code System Code Type Description

CAS

182811-12-7

Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

GZ6WF4Q2UM

Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025

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PUBCHEM

140910891

Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025

PRIMARY