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

Details

Stereochemistry ABSOLUTE
Molecular Formula C39H60O11
Molecular Weight 704.8871
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE M

SMILES

C[C@H](C[C@@H](OC(C)=O)[C@@H]1OC1(C)C)[C@H]2C(=O)[C@H](O)[C@@]3(C)[C@@H]4CC[C@@H]5[C@]6(C[C@@]46CC[C@]23C)CC[C@H](O[C@@H]7OC[C@@H](OC(C)=O)[C@H](O)[C@H]7O)C5(C)C

InChI

InChIKey=MRJOSYQMJVDQDS-WONLXFFKSA-N
InChI=1S/C39H60O11/c1-19(16-22(47-20(2)40)32-35(6,7)50-32)27-29(43)31(45)37(9)25-11-10-24-34(4,5)26(12-13-38(24)18-39(25,38)15-14-36(27,37)8)49-33-30(44)28(42)23(17-46-33)48-21(3)41/h19,22-28,30-33,42,44-45H,10-18H2,1-9H3/t19-,22-,23-,24+,25+,26+,27+,28+,30-,31+,32+,33+,36-,37-,38-,39+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4',23-O-DIACETYLSHENGMANOL-3-O-.BETA.-D-XYLOPYRANOSIDE
Preferred Name English
CIMIRACEMOSIDE M
Common Name English
CIMIRACEMOSIDE M, (-)-
Common Name English
9,19-CYCLOLANOSTAN-16-ONE, 23-(ACETYLOXY)-3-((4-O-ACETYL-.BETA.-D-XYLOPYRANOSYL)OXY)-24,25-EPOXY-15-HYDROXY-, (3.BETA.,15.ALPHA.,23R,24S)-
Systematic Name English
Code System Code Type Description
FDA UNII
A3XBG3EN6B
Created by admin on Wed Apr 02 13:36:07 GMT 2025 , Edited by admin on Wed Apr 02 13:36:07 GMT 2025
PRIMARY
CAS
473554-77-7
Created by admin on Wed Apr 02 13:36:07 GMT 2025 , Edited by admin on Wed Apr 02 13:36:07 GMT 2025
PRIMARY
PUBCHEM
11093742
Created by admin on Wed Apr 02 13:36:07 GMT 2025 , Edited by admin on Wed Apr 02 13:36:07 GMT 2025
PRIMARY