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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H56O10
Molecular Weight 660.8345
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMOSIDE K

SMILES

[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@H]3C(C)=C)[C@H](O)[C@@]4(C)[C@]5([H])CC[C@]6([H])[C@]7(C[C@@]57C[C@@H](OC(C)=O)[C@]24C)CC[C@H](O[C@]8([H])OC[C@@H](O)[C@H](O)[C@H]8O)C6(C)C

InChI

InChIKey=WUUHXBURWLJGRL-YAHOGZEUSA-N
InChI=1S/C37H56O10/c1-17(2)28-21-13-18(3)29-34(8)25(44-19(4)38)14-36-16-35(36)12-11-24(45-30-27(41)26(40)20(39)15-43-30)32(5,6)22(35)9-10-23(36)33(34,7)31(42)37(29,46-21)47-28/h18,20-31,39-42H,1,9-16H2,2-8H3/t18-,20-,21-,22+,23+,24+,25-,26+,27-,28+,29-,30+,31-,33-,34-,35-,36+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula C37H56O10
Molecular Weight 660.8345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 18
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:52:07 UTC 2023
Edited
by admin
on Sat Dec 16 10:52:07 UTC 2023
Record UNII
MAB9A9VY5X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMOSIDE K
Common Name English
.BETA.-D-XYLOPYRANOSIDE, (3.BETA.,12.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-12-(ACETYLOXY)-16,23:16,24-DIEPOXY-15-HYDROXY-9,19-CYCLOLANOST-25-EN-3-YL
Systematic Name English
CIMIRACEMOSIDE K, (-)-
Common Name English
12-O-ACETYL-25-ANHYDROCIMIGENOL-3-O-.BETA.-D-XYLOPYRANOSIDE
Common Name English
Code System Code Type Description
FDA UNII
MAB9A9VY5X
Created by admin on Sat Dec 16 10:52:07 UTC 2023 , Edited by admin on Sat Dec 16 10:52:07 UTC 2023
PRIMARY
PUBCHEM
10930352
Created by admin on Sat Dec 16 10:52:07 UTC 2023 , Edited by admin on Sat Dec 16 10:52:07 UTC 2023
PRIMARY
CAS
473554-75-5
Created by admin on Sat Dec 16 10:52:07 UTC 2023 , Edited by admin on Sat Dec 16 10:52:07 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT