U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H52O8
Molecular Weight 600.7826
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE I

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@@]68CC[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=FZLZHFMMPIVMNA-GGKBUSOCSA-N
InChI=1S/C35H52O8/c1-18-13-35(28-32(6,43-28)17-40-35)42-20-14-31(5)22-8-7-21-29(2,3)23(41-27-26(38)25(37)19(36)15-39-27)9-10-33(21)16-34(22,33)12-11-30(31,4)24(18)20/h8,18-21,23-28,36-38H,7,9-17H2,1-6H3/t18-,19-,20+,21+,23+,24+,25+,26-,27+,28+,30-,31+,32+,33-,34+,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CIMIRACEMOSIDE I
Common Name English
7-DEHYDRO-23-EPI-12,26-DIDEOXYACTEOL-3-O-.BETA.-D-XYLOPYRANOSIDE
Preferred Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,16.BETA.,23S,24S,25S)-16,23:23,26:24,25-TRIEPOXY-9,19-CYCLOLANOST-7-EN-3-YL
Systematic Name English
Code System Code Type Description
PUBCHEM
21591917
Created by admin on Mon Mar 31 22:46:17 GMT 2025 , Edited by admin on Mon Mar 31 22:46:17 GMT 2025
PRIMARY
CAS
473554-73-3
Created by admin on Mon Mar 31 22:46:17 GMT 2025 , Edited by admin on Mon Mar 31 22:46:17 GMT 2025
PRIMARY
FDA UNII
97U55D891F
Created by admin on Mon Mar 31 22:46:17 GMT 2025 , Edited by admin on Mon Mar 31 22:46:17 GMT 2025
PRIMARY