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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O10
Molecular Weight 658.8187
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 26-DEOXYCIMICIFUGOSIDE

SMILES

C[C@@H]1C[C@]2(OC[C@@]3(C)O[C@@H]23)O[C@H]4C[C@@]5(C)C6=CC[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=PBKJAWKRZRAQQO-YTGDHQJGSA-N
InChI=1S/C37H54O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h9,18,20-22,24-30,39-41H,8,10-17H2,1-7H3/t18-,20-,21+,22+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
26-DEOXYCIMICIFUGOSIDE
Common Name English
26-DEOXYCIMICIFUGOSIDE (CONSTITUENT OF BLACK COHOSH) [DSC]
Preferred Name English
7,8-DIDEHYDRO-27-DEOXYACTEIN
Common Name English
26-DEOXYCIMICIFUGOSIDE, (-)-
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23S,24R,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOST-7-EN-3-YL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501353227
Created by admin on Mon Mar 31 21:54:36 GMT 2025 , Edited by admin on Mon Mar 31 21:54:36 GMT 2025
PRIMARY
CAS
214146-75-5
Created by admin on Mon Mar 31 21:54:36 GMT 2025 , Edited by admin on Mon Mar 31 21:54:36 GMT 2025
PRIMARY
FDA UNII
9H7XN615A3
Created by admin on Mon Mar 31 21:54:36 GMT 2025 , Edited by admin on Mon Mar 31 21:54:36 GMT 2025
PRIMARY
PUBCHEM
72941763
Created by admin on Mon Mar 31 21:54:36 GMT 2025 , Edited by admin on Mon Mar 31 21:54:36 GMT 2025
PRIMARY