JACOBINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCN3CC=C(COC(=O)[C@](C)(O)[C@H](C)C[C@@]4(O[C@H]4C)C(=O)O1)[C@]23[H]

InChI

InChIKey=IAPHXJRHXBQDQJ-WKMWQDDRSA-N

InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:17:21 GMT 2023` Edited by `admin` on `Sat Dec 16 09:17:21 GMT 2023`
Record UNII	GM32U80H1R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

JACOBINE

Common Name

English

SENECIONAN-11,16-DIONE, 15,20-EPOXY-15,20-DIHYDRO-12-HYDROXY-, (15.ALPHA.,20S)-

Systematic Name

English

SPIRO((1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-3(2H),2'-OXIRANE)-2,7(4H)-DIONE, 5,6,9,11,13,14,14A,14B-OCTAHYDRO-6-HYDROXY-3',5,6-TRIMETHYL-, (2'S,3'S,5R,6R,14AR,14BR)-

Systematic Name

English

JACOBINE [IARC]

Common Name

English

NSC-89936

Code

English

Code System Code Type Description

EPA CompTox

DTXSID501020078