Sapintoxin D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H37NO8
Molecular Weight	539.6167
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@@]4(O)CC(CO)=C[C@H]3[C@@H]5C(C)(C)[C@]25OC(C)=O

InChI

InChIKey=UPAIGGMQTARRMN-CSSCWBSHSA-N

InChI=1S/C30H37NO8/c1-15-11-22-28(36,24(15)34)13-18(14-32)12-20-23-27(4,5)30(23,39-17(3)33)25(16(2)29(20,22)37)38-26(35)19-9-7-8-10-21(19)31-6/h7-12,16,20,22-23,25,31-32,36-37H,13-14H2,1-6H3/t16-,20+,22-,23-,25-,28-,29-,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H37NO8
Molecular Weight	539.6167
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 22:46:04 GMT 2025` Edited by `admin` on `Mon Mar 31 22:46:04 GMT 2025`
Record UNII	8JH6F6D2ES
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sapintoxin D

Common Name

English

12-O-(N-Methylanthranilate) phorbol-13-acetate

Preferred Name

English

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-(methylamino)benzoate

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

80998-07-8

Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025

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FDA UNII

8JH6F6D2ES

Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025

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PUBCHEM

114977

Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025

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EPA CompTox

DTXSID301001692

Created by admin on Mon Mar 31 22:46:04 GMT 2025 , Edited by admin on Mon Mar 31 22:46:04 GMT 2025

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