NEOANGULARINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCN3C[C@@H](O)[C@]([H])(COC(=O)[C@](C)(O)C(=C)C\C(=C/C)C(=O)O1)[C@]23[H]

InChI

InChIKey=MCWACAVORNFEFS-OBAGGSNVSA-N

InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4+/t12-,13+,14+,15+,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H25NO6
Molecular Weight	351.3942
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:15:22 GMT 2023` Edited by `admin` on `Fri Dec 15 19:15:22 GMT 2023`
Record UNII	9ZRN8WN0O1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOANGULARINE

Common Name

English

SENECIONAN-11,16-DIONE, 13,19-DIDEHYDRO-1,2-DIHYDRO-2,12-DIHYDROXY-, (1.ALPHA.,2.ALPHA.,15.ALPHA.)-

Systematic Name

English

Code System Code Type Description

CAS

149496-14-0

Created by admin on Fri Dec 15 19:15:22 GMT 2023 , Edited by admin on Fri Dec 15 19:15:22 GMT 2023

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PUBCHEM

22524559

Created by admin on Fri Dec 15 19:15:22 GMT 2023 , Edited by admin on Fri Dec 15 19:15:22 GMT 2023

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FDA UNII

9ZRN8WN0O1

Created by admin on Fri Dec 15 19:15:22 GMT 2023 , Edited by admin on Fri Dec 15 19:15:22 GMT 2023

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