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Details

Stereochemistry ABSOLUTE
Molecular Formula C39H60O11
Molecular Weight 704.8886
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])([C@@]1([H])C(C)(C)O1)OC(=O)C)[C@@]2([H])C(=O)[C@@]([H])([C@@]3(C)[C@]4([H])CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]65C[C@@]46CC[C@]23C)O[C@@]7([H])[C@@]([H])([C@]([H])([C@@]([H])(CO7)OC(=O)C)O)O)O

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

Molecular Formula C39H60O11
Molecular Weight 704.8886
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 16 / 16
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:55:40 UTC 2021
Edited
by admin
on Sat Jun 26 07:55:40 UTC 2021
Record UNII
A3XBG3EN6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMOSIDE M
Common Name English
4',23-O-DIACETYLSHENGMANOL-3-O-.BETA.-D-XYLOPYRANOSIDE
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 Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
CAS
473554-77-7
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
PUBCHEM
11093742
Created by admin on Sat Jun 26 07:55:41 UTC 2021 , Edited by admin on Sat Jun 26 07:55:41 UTC 2021
PRIMARY
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