Sapintoxin A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37NO7
Molecular Weight	523.6173
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CNC1=CC=CC=C1C(=O)O[C@@H]2[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@H]4CC(CO)=C[C@H]3[C@@H]5C(C)(C)[C@]25OC(C)=O

InChI

InChIKey=KBSBUGUKMIUBEE-WQYXQGCUSA-N

InChI=1S/C30H37NO7/c1-15-11-21-20(24(15)34)12-18(14-32)13-22-25-28(4,5)30(25,38-17(3)33)26(16(2)29(21,22)36)37-27(35)19-9-7-8-10-23(19)31-6/h7-11,13,16,20-22,25-26,31-32,36H,12,14H2,1-6H3/t16-,20+,21-,22+,25-,26-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H37NO7
Molecular Weight	523.6173
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:57:40 GMT 2025` Edited by `admin` on `Mon Mar 31 21:57:40 GMT 2025`
Record UNII	2HF34UL2QC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1R,2R,6S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0^{2,6}.0^{11,13}]pentadeca-3,8-dien-14-yl 2-(methylamino)benzoate

Preferred Name

English

Sapintoxin A

Common Name

English

Benzoic acid, 2-(methylamino)-, (1aR,1bS,4aS,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester

Systematic Name

English

Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, [1aR-(1a?,1b?,4a?,7a?,7b?,8?,9?,9a?)]-

Systematic Name

English

Code System Code Type Description

CAS

79083-69-5

Created by admin on Mon Mar 31 21:57:40 GMT 2025 , Edited by admin on Mon Mar 31 21:57:40 GMT 2025

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FDA UNII

2HF34UL2QC

Created by admin on Mon Mar 31 21:57:40 GMT 2025 , Edited by admin on Mon Mar 31 21:57:40 GMT 2025

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EPA CompTox

DTXSID601000255

Created by admin on Mon Mar 31 21:57:40 GMT 2025 , Edited by admin on Mon Mar 31 21:57:40 GMT 2025

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PUBCHEM

108085

Created by admin on Mon Mar 31 21:57:40 GMT 2025 , Edited by admin on Mon Mar 31 21:57:40 GMT 2025

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