EPOCHOLEONE

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 Search

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

Molecular Formula	C35H56O7
Molecular Weight	588.8149
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:33:27 GMT 2023` Edited by `admin` on `Fri Dec 15 18:33:27 GMT 2023`
Record UNII	8D84QYK87K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPOCHOLEONE

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