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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H52O7
Molecular Weight 572.7725
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CIMIGENOL 3,15-DIACETATE

SMILES

[H][C@]12[C@H](C)C[C@H]3O[C@@]1(O[C@@H]3C(C)(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=YGMHGDSEZLENCH-BQUWQOTDSA-N
InChI=1S/C34H52O7/c1-18-16-21-26(29(6,7)37)41-34(40-21)25(18)30(8)14-15-33-17-32(33)13-12-24(38-19(2)35)28(4,5)22(32)10-11-23(33)31(30,9)27(34)39-20(3)36/h18,21-27,37H,10-17H2,1-9H3/t18-,21-,22+,23+,24+,25-,26+,27-,30-,31-,32-,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H52O7
Molecular Weight 572.7725
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 08:45:35 GMT 2023
Edited
by admin
on Sat Dec 16 08:45:35 GMT 2023
Record UNII
03F1XSV8NY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIGENOL 3,15-DIACETATE
Common Name English
9,19-CYCLOLANOSTANE-3,15,25-TRIOL, 16,23:16,24-DIEPOXY-, 3,15-DIACETATE, (3.BETA.,15.ALPHA.,16.ALPHA.,23R,24S)-
Systematic Name English
CIMIGENOL DIACETATE
Common Name English
Code System Code Type Description
PUBCHEM
73425440
Created by admin on Sat Dec 16 08:45:35 GMT 2023 , Edited by admin on Sat Dec 16 08:45:35 GMT 2023
PRIMARY
CAS
31222-30-7
Created by admin on Sat Dec 16 08:45:35 GMT 2023 , Edited by admin on Sat Dec 16 08:45:35 GMT 2023
PRIMARY
FDA UNII
03F1XSV8NY
Created by admin on Sat Dec 16 08:45:35 GMT 2023 , Edited by admin on Sat Dec 16 08:45:35 GMT 2023
PRIMARY