26R-ACTEIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H56O11
Molecular Weight	676.8339
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1C[C@]2(O[C@@H](O)[C@@]3(C)O[C@@H]23)O[C@H]4C[C@@]5(C)[C@@H]6CC[C@@H]7[C@]8(C[C@@]68C[C@@H](OC(C)=O)[C@]5(C)[C@@H]14)CC[C@H](O[C@@H]9OC[C@@H](O)[C@H](O)[C@H]9O)C7(C)C

InChI

InChIKey=NEWMWGLPJQHSSQ-RXCADDNGSA-N

InChI=1S/C37H56O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,32+,33-,34+,35-,36+,37-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C37H56O11
Molecular Weight	676.8339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:09:53 GMT 2025` Edited by `admin` on `Mon Mar 31 22:09:53 GMT 2025`
Record UNII	QG6340JS5Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

26(R)-ACTEIN

Preferred Name

English

26R-ACTEIN

Common Name

English

.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23R,24R,25S,26R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOLANOSTAN-3-YL

Systematic Name

English

26R-ACTEIN (CONSTITUENT OF BLACK COHOSH) [DSC]

Common Name

English

Code System Code Type Description

PUBCHEM

91826881

Created by admin on Mon Mar 31 22:09:53 GMT 2025 , Edited by admin on Mon Mar 31 22:09:53 GMT 2025

PRIMARY

FDA UNII

QG6340JS5Z

Created by admin on Mon Mar 31 22:09:53 GMT 2025 , Edited by admin on Mon Mar 31 22:09:53 GMT 2025

PRIMARY

CAS

947160-03-4

Created by admin on Mon Mar 31 22:09:53 GMT 2025 , Edited by admin on Mon Mar 31 22:09:53 GMT 2025

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