3'-O-ACETYLCIMICIFUGOSIDE H1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H54O10
Molecular Weight	658.8187
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3'-O-ACETYLCIMICIFUGOSIDE H1

Structure Search

SMILES

[H][C@]2([C@H](C)CC(=O)[C@@H]1OC1(C)C)C(=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](OC(C)=O)[C@H]7O)C5(C)C

InChI

InChIKey=YMZWYWIOGAAVCQ-AKETXWAMSA-N

InChI=1S/C37H54O10/c1-18(13-20(39)30-33(5,6)47-30)27-21(40)14-34(7)24-10-9-23-32(3,4)26(46-31-28(43)29(45-19(2)38)22(41)16-44-31)11-12-36(23)17-37(24,36)25(42)15-35(27,34)8/h10,18,22-23,25-31,41-43H,9,11-17H2,1-8H3/t18-,22-,23+,25+,26+,27+,28-,29+,30+,31+,34+,35-,36-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H54O10
Molecular Weight	658.8187
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:02:58 GMT 2023` Edited by `admin` on `Sat Dec 16 11:02:58 GMT 2023`
Record UNII	93313JCR38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-O-ACETYLCIMICIFUGOSIDE H1

Common Name

English

3'-O-ACETYLCIMICIFUGOSIDE H-1

Common Name

English

9,19-CYCLOLANOST-7-ENE-16,23-DIONE, 3-((3-O-ACETYL-.BETA.-D-XYLOPYRANOSYL)OXY)-24,25-EPOXY-11-HYDROXY-, (3.BETA.,11.BETA.,24R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

93313JCR38

Created by admin on Sat Dec 16 11:02:58 GMT 2023 , Edited by admin on Sat Dec 16 11:02:58 GMT 2023

PRIMARY

PUBCHEM

91827090

Created by admin on Sat Dec 16 11:02:58 GMT 2023 , Edited by admin on Sat Dec 16 11:02:58 GMT 2023

PRIMARY

CAS

903872-35-5

Created by admin on Sat Dec 16 11:02:58 GMT 2023 , Edited by admin on Sat Dec 16 11:02:58 GMT 2023

PRIMARY

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