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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O10
Molecular Weight 658.8201
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 26-DEOXYCIMICIFUGOSIDE

SMILES

C[C@]1([H])C[C@@]2([C@@]3([H])[C@@](C)(CO2)O3)O[C@@]4([H])C[C@@]5(C)C6=CC[C@@]7([H])C(C)(C)[C@]([H])(CC[C@]87C[C@@]68C[C@]([H])([C@]5(C)[C@@]14[H])OC(=O)C)O[C@@]9([H])[C@@]([H])([C@]([H])([C@@]([H])(CO9)O)O)O

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

Molecular Formula C37H54O10
Molecular Weight 658.8201
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 Jun 26 06:06:45 UTC 2021
Edited
by admin
on Sat Jun 26 06:06:45 UTC 2021
Record UNII
9H7XN615A3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
26-DEOXYCIMICIFUGOSIDE
Common Name English
7,8-DIDEHYDRO-27-DEOXYACTEIN
Common Name English
26-DEOXYCIMICIFUGOSIDE, (-)-
Common Name English
26-DEOXYCIMICIFUGOSIDE (CONSTITUENT OF BLACK COHOSH) [DSC]
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
CAS
214146-75-5
Created by admin on Sat Jun 26 06:06:45 UTC 2021 , Edited by admin on Sat Jun 26 06:06:45 UTC 2021
PRIMARY
FDA UNII
9H7XN615A3
Created by admin on Sat Jun 26 06:06:45 UTC 2021 , Edited by admin on Sat Jun 26 06:06:45 UTC 2021
PRIMARY
PUBCHEM
72941763
Created by admin on Sat Jun 26 06:06:45 UTC 2021 , Edited by admin on Sat Jun 26 06:06:45 UTC 2021
PRIMARY
Related Record Type Details
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