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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 XYLOSIDE

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-GEOUWNACSA-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 08:24:36 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:36 GMT 2023
Record UNII
915XS7T0OS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
25-O-ACETYLCIMIGENOL XYLOSIDE
Common Name English
25-O-ACETYLCIMIGENOL-3-O-.BETA.-D-XYLOPYRANOSIDE
Common Name English
CIMIGENOSIDE, 25-ACETATE
Common Name English
25-O-ACETYLCIMIGENOL-3-O-.BETA.-D-XYLOSIDE (24S) (CONSTITUENT OF BLACK COHOSH) [DSC]
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (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
FDA UNII
915XS7T0OS
Created by admin on Sat Dec 16 08:24:36 GMT 2023 , Edited by admin on Sat Dec 16 08:24:36 GMT 2023
PRIMARY
PUBCHEM
91826996
Created by admin on Sat Dec 16 08:24:36 GMT 2023 , Edited by admin on Sat Dec 16 08:24:36 GMT 2023
PRIMARY
CAS
27994-12-3
Created by admin on Sat Dec 16 08:24:36 GMT 2023 , Edited by admin on Sat Dec 16 08:24:36 GMT 2023
PRIMARY
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