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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H56O7
Molecular Weight 588.8149
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPOCHOLEONE

SMILES

[H][C@@](C)([C@@]1([H])O[C@]1([H])[C@@H](CC)C(C)C)[C@@]2([H])CC[C@@]3([H])[C@]4([H])COC(=O)[C@@]5([H])C[C@]([H])(OC(=O)CC)[C@@]([H])(C[C@]5(C)[C@@]4([H])CC[C@]23C)OC(=O)CC

InChI

InChIKey=FHOXQLTVOMNIOR-QZPAGEHASA-N
InChI=1S/C35H56O7/c1-9-21(19(4)5)32-31(42-32)20(6)23-12-13-24-22-18-39-33(38)26-16-27(40-29(36)10-2)28(41-30(37)11-3)17-35(26,8)25(22)14-15-34(23,24)7/h19-28,31-32H,9-18H2,1-8H3/t20-,21-,22-,23+,24-,25-,26+,27-,28+,31+,32+,34+,35+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EPOCHOLEONE
ISO  
Common Name English
(1R,3AS,3BS,6AS,8S,9R,10AR,10BS,12AS)-1-((1S)-1-((2R,3R)-3-((1S)-1-ETHYL-2-METHYLPROPYL)OXIRANYL)ETHYL)HEXADECAHYDRO-10A,12A-DIMETHYL-8,9-BIS(1-OXOPROPOXY)-6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE
Common Name English
EPOCHOLEONE [ISO]
Common Name English
22,23-EPOXY-6-OXO-7-OXA-6(7A)-HOMO-5.ALPHA.-STIGMASTANE-2.ALPHA.,3.ALPHA.-DIYL DIPROPIONATE
Common Name English
Code System Code Type Description
FDA UNII
8D84QYK87K
Created by admin on Fri Dec 15 18:33:27 GMT 2023 , Edited by admin on Fri Dec 15 18:33:27 GMT 2023
PRIMARY
ALANWOOD
epocholeone
Created by admin on Fri Dec 15 18:33:27 GMT 2023 , Edited by admin on Fri Dec 15 18:33:27 GMT 2023
PRIMARY
PUBCHEM
87556584
Created by admin on Fri Dec 15 18:33:27 GMT 2023 , Edited by admin on Fri Dec 15 18:33:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID50167490
Created by admin on Fri Dec 15 18:33:27 GMT 2023 , Edited by admin on Fri Dec 15 18:33:27 GMT 2023
PRIMARY
CAS
162922-31-8
Created by admin on Fri Dec 15 18:33:27 GMT 2023 , Edited by admin on Fri Dec 15 18:33:27 GMT 2023
PRIMARY