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Details

Stereochemistry UNKNOWN
Molecular Formula C39H58O12
Molecular Weight 718.8706
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 19
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE O

SMILES

C[C@@H]1C[C@]2(OC(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](OC(C)=O)[C@H](O)[C@H]9O)C7(C)C

InChI

InChIKey=PGTPUTFNHDMKJT-YNHOCJQGSA-N
InChI=1S/C39H58O12/c1-18-13-39(31-36(8,50-31)32(44)51-39)49-21-14-34(6)24-10-9-23-33(4,5)25(48-30-29(43)28(42)22(16-45-30)46-19(2)40)11-12-37(23)17-38(24,37)15-26(47-20(3)41)35(34,7)27(18)21/h18,21-32,42-44H,9-17H2,1-8H3/t18-,21+,22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32?,34+,35-,36-,37-,38+,39-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CIMIRACEMOSIDE O
Common Name English
CIMIRACEMOSIDE O, (-)-
Preferred Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,16.BETA.,23R,24S,25R)-12-(ACETYLOXY)-16,23:23,26:24,25-TRIEPOXY-26-HYDROXY-9,19-CYCLOLANOSTAN-3-YL, 4-ACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
E66B685OU2
Created by admin on Mon Mar 31 23:29:09 GMT 2025 , Edited by admin on Mon Mar 31 23:29:09 GMT 2025
PRIMARY
PUBCHEM
91827003
Created by admin on Mon Mar 31 23:29:09 GMT 2025 , Edited by admin on Mon Mar 31 23:29:09 GMT 2025
PRIMARY
CAS
473554-79-9
Created by admin on Mon Mar 31 23:29:09 GMT 2025 , Edited by admin on Mon Mar 31 23:29:09 GMT 2025
PRIMARY