BENZOYLGOMISIN O

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32O8
Molecular Weight	520.5703
Optical Activity	UNSPECIFIED
Additional Stereochemistry	Yes
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0
Stereo Comments	AXIAL, S

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(OC)C(OC)=C2C(=C1)[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@@H](C)CC4=C2C(OC)=C5OCOC5=C4

InChI

InChIKey=XUGSROZUUURBSW-XOWTYJCDSA-N

InChI=1S/C30H32O8/c1-16-12-19-13-22-27(37-15-36-22)28(34-5)23(19)24-20(14-21(32-3)26(33-4)29(24)35-6)25(17(16)2)38-30(31)18-10-8-7-9-11-18/h7-11,13-14,16-17,25H,12,15H2,1-6H3/t16-,17-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H32O8
Molecular Weight	520.5703
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:18:52 UTC 2023` Edited by `admin` on `Sat Dec 16 11:18:52 UTC 2023`
Record UNII	Y5AT2L2CHO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZOYLGOMISIN O

Common Name

English

6-O-BENZOYLGOMISIN O

Common Name

English

BENZO(3,4)CYCLOOCTA(1,2-F)(1,3)BENZODIOXOL-5-OL, 5,6,7,8-TETRAHYDRO-1,2,3,13-TETRAMETHOXY-6,7-DIMETHYL-, 5-BENZOATE, (5R,6S,7S)-

Systematic Name

English

BENZOYLGOMISIN O, (+)-

Common Name

English

Code System Code Type Description

PUBCHEM

91826818

Created by admin on Sat Dec 16 11:18:52 UTC 2023 , Edited by admin on Sat Dec 16 11:18:52 UTC 2023

PRIMARY

FDA UNII

Y5AT2L2CHO

Created by admin on Sat Dec 16 11:18:52 UTC 2023 , Edited by admin on Sat Dec 16 11:18:52 UTC 2023

PRIMARY

CAS

130783-32-3

Created by admin on Sat Dec 16 11:18:52 UTC 2023 , Edited by admin on Sat Dec 16 11:18:52 UTC 2023

PRIMARY

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