JACONINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H26ClNO6
Molecular Weight	387.855
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](Cl)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23

InChI

InChIKey=CKPJPJSVQMEGBC-YLFNNMARSA-N

InChI=1S/C18H26ClNO6/c1-10-8-18(24,11(2)19)16(22)26-13-5-7-20-6-4-12(14(13)20)9-25-15(21)17(10,3)23/h4,10-11,13-14,23-24H,5-9H2,1-3H3/t10-,11-,13-,14-,17-,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H26ClNO6
Molecular Weight	387.855
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 `Mon Mar 31 22:44:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:44:04 GMT 2025`
Record UNII	3C9C0F9390
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3-((1R)-1-CHLOROETHYL)-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-3,6-DIHYDROXY-5,6-DIMETHYL-, (3R,5R,6S,14AR,14BR)-

Preferred Name

English

JACONINE

Common Name

English

SENECIONAN-11,16-DIONE, 20-CHLORO-15,20-DIHYDRO-12,15-DIHYDROXY-, (15.ALPHA.,20R)-

Systematic Name

English

(3R,5R,6S,14AR,14BR)-3-((1R)-1-CHLOROETHYL)-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-3,6-DIHYDROXY-5,6-DIMETHYL(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE

Systematic Name

English

(1,6)DIOXACYCLODODECINO(2,3,4-GH)PYRROLIZINE-2,7-DIONE, 3-(1-CHLOROETHYL)-3,4,5,6,9,11,13,14,14A,14B-DECAHYDRO-3,6-DIHYDROXY-5,6-DIMETHYL-, (3R-(3R*(R*),5R*,6S*,14AR*,14BR*))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

5351515

Created by admin on Mon Mar 31 22:44:04 GMT 2025 , Edited by admin on Mon Mar 31 22:44:04 GMT 2025

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FDA UNII

3C9C0F9390

Created by admin on Mon Mar 31 22:44:04 GMT 2025 , Edited by admin on Mon Mar 31 22:44:04 GMT 2025

PRIMARY

CAS

480-75-1

Created by admin on Mon Mar 31 22:44:04 GMT 2025 , Edited by admin on Mon Mar 31 22:44:04 GMT 2025

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EPA CompTox

DTXSID80963982

Created by admin on Mon Mar 31 22:44:04 GMT 2025 , Edited by admin on Mon Mar 31 22:44:04 GMT 2025

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