SPECIOGYNINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H30N2O4
Molecular Weight	398.4953
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@H]([C@@H](CC)CN1CCC3=C2NC4=C3C(OC)=CC=C4)C(=C/OC)\C(=O)OC

InChI

InChIKey=LELBFTMXCIIKKX-CYSPOEIOSA-N

InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H30N2O4
Molecular Weight	398.4953
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:39:32 UTC 2023` Edited by `admin` on `Sat Dec 16 17:39:32 UTC 2023`
Record UNII	BB185OF16A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPECIOGYNINE

Common Name

English

(+)-SPECIOGYNINE

Common Name

English

17,18-SECOYOHIMBAN-16-CARBOXYLIC ACID, 16,17-DIDEHYDRO-9,17-DIMETHOXY-, METHYL ESTER, (E)-

Systematic Name

English

INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3R,12BS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

BB185OF16A

Created by admin on Sat Dec 16 17:39:32 UTC 2023 , Edited by admin on Sat Dec 16 17:39:32 UTC 2023

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EPA CompTox

DTXSID901318037

Created by admin on Sat Dec 16 17:39:32 UTC 2023 , Edited by admin on Sat Dec 16 17:39:32 UTC 2023

PRIMARY

PUBCHEM

15560577

Created by admin on Sat Dec 16 17:39:32 UTC 2023 , Edited by admin on Sat Dec 16 17:39:32 UTC 2023

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CAS

4697-67-0

Created by admin on Sat Dec 16 17:39:32 UTC 2023 , Edited by admin on Sat Dec 16 17:39:32 UTC 2023

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