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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H54O8
Molecular Weight 614.8092
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIGENOL TRIACETATE

SMILES

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

InChI

InChIKey=YWZMQFMLUXBFHH-HRSZHCCYSA-N
InChI=1S/C36H54O8/c1-19-17-23-28(31(7,8)42-22(4)39)44-36(43-23)27(19)32(9)15-16-35-18-34(35)14-13-26(40-20(2)37)30(5,6)24(34)11-12-25(35)33(32,10)29(36)41-21(3)38/h19,23-29H,11-18H2,1-10H3/t19-,23-,24+,25+,26+,27-,28+,29-,32-,33-,34-,35+,36+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H54O8
Molecular Weight 614.8092
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:47:02 GMT 2023
Edited
by admin
on Sat Dec 16 08:47:02 GMT 2023
Record UNII
8SM78W98U8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIGENOL TRIACETATE
MI  
Common Name English
CIMIGENOL TRIACETATE [MI]
Common Name English
2-((1S,2S,4S,5R)-5-ETHENYL-1-AZABICYCLO(2.2.2)OCT-2-YL)-1H-INDOLE-3-ETHANOL TRIACETATE
Systematic Name English
9,19-CYCLOLANOSTANE-3,15,25-TRIOL, 16,23:16,24-DIEPOXY-, TRIACETATE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73425450
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY
CAS
59274-35-0
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY
MERCK INDEX
m3554
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY Merck Index
FDA UNII
8SM78W98U8
Created by admin on Sat Dec 16 08:47:02 GMT 2023 , Edited by admin on Sat Dec 16 08:47:02 GMT 2023
PRIMARY