ALSCHOMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24N2O5
Molecular Weight	384.4257
Optical Activity	( + )
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@H]1C[C@]23[C@@H]([C@H]4C[C@H]([N+]([O-])=C\C4=C\C)[C@]2(NC5=CC=CC=C35)O1)C(=O)OC

InChI

InChIKey=WHAYYXYTINYKPT-WGGBGCPLSA-N

InChI=1S/C21H24N2O5/c1-4-12-11-23(25)16-9-13(12)18(19(24)27-3)20-10-17(26-2)28-21(16,20)22-15-8-6-5-7-14(15)20/h4-8,11,13,16-18,22H,9-10H2,1-3H3/b12-4-/t13-,16-,17+,18-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H24N2O5
Molecular Weight	384.4257
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:43:03 GMT 2025` Edited by `admin` on `Wed Apr 02 08:43:03 GMT 2025`
Record UNII	ZQ4R8F8GXS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALSCHOMINE

Common Name

English

(+)-Alschomine

Preferred Name

English

4,5-SECOAKUAMMILAN-17-OIC ACID, 4,21-DIDEHYDRO-2,5-EPOXY-1,2-DIHYDRO-5-METHOXY-, METHYL ESTER, 4-OXIDE, (2.ALPHA.,5R)-

Systematic Name

English

11A,6A-(EPOXYETHANO)-1,5-METHANO-11H-AZOCINO(3,4-B)INDOLE-6-CARBOXYLIC ACID, 4-ETHYLIDENE-1,4,5,6-TETRAHYDRO-13-METHOXY-, METHYL ESTER, 2-OXIDE, (1S,4E,5R,6R,6AR,11AR,13R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001046009