25-O-ACETYLCIMIGENOL-3-O-.ALPHA.-L-ARABINOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H58O10
Molecular Weight	662.8504
Optical Activity	UNSPECIFIED
Defined Stereocenters	17 / 17
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 25-O-ACETYLCIMIGENOL-3-O-.ALPHA.-L-ARABINOSIDE

Structure Search

SMILES

[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(C)OC(C)=O)[C@H](O)[C@@]4(C)[C@]5([H])CC[C@]6([H])[C@]7(C[C@@]57CC[C@]24C)CC[C@H](O[C@]8([H])OC[C@H](O)[C@H](O)[C@H]8O)C6(C)C

InChI

InChIKey=NNFJPOSVDKIWPO-VYWUFNEXSA-N

InChI=1S/C37H58O10/c1-18-15-21-28(32(5,6)45-19(2)38)47-37(46-21)27(18)33(7)13-14-36-17-35(36)12-11-24(44-29-26(41)25(40)20(39)16-43-29)31(3,4)22(35)9-10-23(36)34(33,8)30(37)42/h18,20-30,39-42H,9-17H2,1-8H3/t18-,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H58O10
Molecular Weight	662.8504
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 17
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:32:13 GMT 2023` Edited by `admin` on `Sat Dec 16 17:32:13 GMT 2023`
Record UNII	44DY6671OR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

25-O-ACETYLCIMIGENOL-3-O-.ALPHA.-L-ARABINOSIDE

Common Name

English

25-O-ACETYLCIMIGENOL-3-O-.ALPHA.-L-ARABINOSIDE (24S) (CONSTITUENT OF BLACK COHOSH) [DSC]

Common Name

English

25-O-ACETYLCIMIGENOL-3-O-.ALPHA.-L-ARABINOSIDE, (+)-

Common Name

English

25-O-ACETYLCIMIGENOL 3-O-.ALPHA.-L-ARABINOSIDE

Common Name

English

.ALPHA.-L-ARABINOPYRANOSIDE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-25-(ACETYLOXY)-16,23:16,24-DIEPOXY-15-HYDROXY-9,19-CYCLOLANOSTAN-3-YL

Systematic Name

English

Code System Code Type Description

PUBCHEM

24721386

Created by admin on Sat Dec 16 17:32:13 GMT 2023 , Edited by admin on Sat Dec 16 17:32:13 GMT 2023

PRIMARY

FDA UNII

44DY6671OR

Created by admin on Sat Dec 16 17:32:13 GMT 2023 , Edited by admin on Sat Dec 16 17:32:13 GMT 2023

PRIMARY

EPA CompTox

DTXSID401273458

Created by admin on Sat Dec 16 17:32:13 GMT 2023 , Edited by admin on Sat Dec 16 17:32:13 GMT 2023

PRIMARY

CAS

256925-93-6

Created by admin on Sat Dec 16 17:32:13 GMT 2023 , Edited by admin on Sat Dec 16 17:32:13 GMT 2023

PRIMARY

Related Record Type Details


					K73E24S6X9

BLACK COHOSH

PARENT -> CONSTITUENT ALWAYS PRESENT