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

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H48O6
Molecular Weight 528.7199
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALISOL C 23-ACETATE

SMILES

[H][C@@]1(OC1(C)C)[C@H](C[C@@H](C)C2=C3C[C@H](O)[C@@]4([H])[C@@]5(C)CCC(=O)C(C)(C)[C@]5([H])CC[C@]4(C)[C@@]3(C)CC2=O)OC(C)=O

InChI

InChIKey=KOOCQNIPRJEMDH-QSKXMHMESA-N
InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALISOL C 23-ACETATE
Common Name English
DAMMAR-13(17)-ENE-3,16-DIONE, 23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXY-, (8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-
Systematic Name English
(1S,3R)-1-((R)-3,3-DIMETHYLOXIRAN-2-YL)-3-((5R,8S,9S,10S,11S,14R)-11-HYDROXY-4,4,8,10,14-PENTAMETHYL-3,16-DIOXO-2,3,4,5,6,7,8,9,10,11,12,14,15,16-TETRADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)BUTYL ACETATE
Systematic Name English
(8.ALPHA.,9.BETA.,11.BETA.,14.BETA.,23S,24R)-23-(ACETYLOXY)-24,25-EPOXY-11-HYDROXYDAMMAR-13(17)-ENE-3,16-DIONE
Systematic Name English
23-O-ACETYLALISOL C
Common Name English
ALISOL C MONOACETATE
Common Name English
8.ALPHA.,9.BETA.,14.BETA.-DAMMAR-13(17)-ENE-3,16-DIONE, 24,25-EPOXY-11.BETA.,23-DIHYDROXY-, 23-ACETATE, (23S,24R)-
Systematic Name English
ALISOL C 23-MONOACETATE
Common Name English
Code System Code Type Description
FDA UNII
TF3DV2XK24
Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023
PRIMARY
PUBCHEM
14036813
Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023
PRIMARY
CAS
26575-93-9
Created by admin on Sat Dec 16 08:29:19 GMT 2023 , Edited by admin on Sat Dec 16 08:29:19 GMT 2023
PRIMARY