CIMICIFUGOSIDE H-4

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H48O9
Molecular Weight	576.7181
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@H](C)CC(=O)[C@H](O)[C@@]1(O)C[C@@]3(C)C4=CC[C@]5([H])[C@]6(C[C@@]46[C@@H](O)C[C@]23C)CC[C@H](O[C@]7([H])OC[C@@H](O)[C@H](O)[C@H]7O)C5(C)C

InChI

InChIKey=XAOFACFLIBLCBM-UKBVKWQQSA-N

InChI=1S/C32H48O9/c1-15-10-16(33)25(38)32(39)13-29(5)19-7-6-18-27(2,3)21(41-26-23(37)22(36)17(34)12-40-26)8-9-30(18)14-31(19,30)20(35)11-28(29,4)24(15)32/h7,15,17-18,20-26,34-39H,6,8-14H2,1-5H3/t15-,17-,18+,20+,21+,22+,23-,24-,25+,26+,28-,29+,30-,31+,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H48O9
Molecular Weight	576.7181
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:38:18 GMT 2023` Edited by `admin` on `Fri Dec 15 20:38:18 GMT 2023`
Record UNII	T7K492IN8C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CIMICIFUGOSIDE H-4

Common Name

English

CIMICIFUGOSIDE H-4, (-)-

Common Name

English

NEOCIMISIDE

Common Name

English

CIMICIFUGOSIDE H 4

Common Name

English

FOETIDINOL-3-O-.BETA.-D-XYLOPYRANOSIDE

Common Name

English

Code System Code Type Description

CAS

161097-79-6

Created by admin on Fri Dec 15 20:38:19 GMT 2023 , Edited by admin on Fri Dec 15 20:38:19 GMT 2023

PRIMARY

FDA UNII

T7K492IN8C

Created by admin on Fri Dec 15 20:38:19 GMT 2023 , Edited by admin on Fri Dec 15 20:38:19 GMT 2023

PRIMARY

PUBCHEM

10008346

Created by admin on Fri Dec 15 20:38:19 GMT 2023 , Edited by admin on Fri Dec 15 20:38:19 GMT 2023

PRIMARY

Related Record Type Details


					K73E24S6X9

BLACK COHOSH

PARENT -> CONSTITUENT ALWAYS PRESENT