CIMIACEROSIDE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H54O9
Molecular Weight	618.7979
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]7([H])OC(C)(C)[C@@H](O)[C@@]7(O)O2)CC[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C5(C)C

InChI

InChIKey=SUWXCVINJBVOAI-NMOPOQBHSA-N

InChI=1S/C35H54O9/c1-17-23-19(43-35(40)26(17)44-30(4,5)28(35)39)14-32(7)21-9-8-20-29(2,3)22(42-27-25(38)24(37)18(36)15-41-27)10-11-33(20)16-34(21,33)13-12-31(23,32)6/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18+,19-,20-,22-,23-,24-,25+,26+,27-,28+,31+,32-,33+,34-,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H54O9
Molecular Weight	618.7979
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:34:46 UTC 2023` Edited by `admin` on `Sat Dec 16 09:34:46 UTC 2023`
Record UNII	UJX35XW32G
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CIMIACEROSIDE A

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,16.BETA.,22R,23R,24R)-16,23:22,25-DIEPOXY-23,24-DIHYDROXY-9,19-CYCLOLANOST-7-EN-3-YL

Systematic Name

English

CIMIACEROSIDE A, (-)-

Common Name

English

Code System Code Type Description

PUBCHEM

21591249

Created by admin on Sat Dec 16 09:34:46 UTC 2023 , Edited by admin on Sat Dec 16 09:34:46 UTC 2023

PRIMARY

CAS

210643-83-7

Created by admin on Sat Dec 16 09:34:46 UTC 2023 , Edited by admin on Sat Dec 16 09:34:46 UTC 2023

PRIMARY

FDA UNII

UJX35XW32G

Created by admin on Sat Dec 16 09:34:46 UTC 2023 , Edited by admin on Sat Dec 16 09:34:46 UTC 2023

PRIMARY

Related Record Type Details


					K73E24S6X9

BLACK COHOSH

PARENT -> CONSTITUENT ALWAYS PRESENT