SUPININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H25NO4
Molecular Weight	283.3633
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)O

InChI

InChIKey=DRVWTOSBCBKXOR-ZLDLUXBVSA-N

InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13+,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H25NO4
Molecular Weight	283.3633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:44:34 GMT 2023` Edited by `admin` on `Fri Dec 15 19:44:34 GMT 2023`
Record UNII	W11Q632E7K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUPININE

Common Name

English

SUPININ

Common Name

English

BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, (2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (7AS-(7(2R*,3S*),7AR*))-

Systematic Name

English

BUTANOIC ACID, 2,3-DIHYDROXY-2-(1-METHYLETHYL)-, ((7AS)-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL)METHYL ESTER, (2S,3R)-

Systematic Name

English

Code System Code Type Description

CAS

551-58-6

Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023

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FDA UNII

W11Q632E7K

Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023

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EPA CompTox

DTXSID70203622

Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023

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PUBCHEM

108053

Created by admin on Fri Dec 15 19:44:34 GMT 2023 , Edited by admin on Fri Dec 15 19:44:34 GMT 2023

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Related Record Type Details


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BORAGE

PARENT -> CONSTITUENT ALWAYS PRESENT