3,8-DIDEHYDROMONOCROTALINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H21NO6
Molecular Weight	323.341
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1C(=O)O[C@@H]2CCN3C=CC(COC(=O)[C@](C)(O)[C@]1(C)O)=C23

InChI

InChIKey=ZONSVLURFASOJK-LLAGZRPASA-N

InChI=1S/C16H21NO6/c1-9-13(18)23-11-5-7-17-6-4-10(12(11)17)8-22-14(19)16(3,21)15(9,2)20/h4,6,9,11,20-21H,5,7-8H2,1-3H3/t9-,11+,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H21NO6
Molecular Weight	323.341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:14:44 GMT 2025` Edited by `admin` on `Mon Mar 31 19:14:44 GMT 2025`
Record UNII	1HW8C6SVG7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-DEHYDROMONOCROTALINE

Preferred Name

English

3,8-DIDEHYDROMONOCROTALINE

Common Name

English

2H-(1,6)DIOXACYCLOUNDECINO(2,3,4-GH)PYRROLIZINE-2,6(3H)-DIONE, 4,5,8,12,13,13A-HEXAHYDRO-4,5-DIHYDROXY-3,4,5-TRIMETHYL-, (3R,4R,5R,13AR)-

Systematic Name

English

DEHYDROMONOCROTALINE

Common Name

English

MONOCROTALINE, 3,8-DIDEHYDRO-

Common Name

English

MONOCROTALINE PYRROLE

Common Name

English

20-NORCROTALANAN-11,15-DIONE, 3,8-DIDEHYDRO-14,19-DIHYDRO-12,13-DIHYDROXY-, (13.ALPHA.,14.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

23291-96-5

Created by admin on Mon Mar 31 19:14:44 GMT 2025 , Edited by admin on Mon Mar 31 19:14:44 GMT 2025

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FDA UNII

1HW8C6SVG7

Created by admin on Mon Mar 31 19:14:44 GMT 2025 , Edited by admin on Mon Mar 31 19:14:44 GMT 2025

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EPA CompTox

DTXSID80177860

Created by admin on Mon Mar 31 19:14:44 GMT 2025 , Edited by admin on Mon Mar 31 19:14:44 GMT 2025

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PUBCHEM

104764

Created by admin on Mon Mar 31 19:14:44 GMT 2025 , Edited by admin on Mon Mar 31 19:14:44 GMT 2025

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