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Substance Name: Sapintoxin D
RN: 80998-07-8
InChIKey: UPAIGGMQTARRMN-CSSCWBSHSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C30-H37-N-O8

Molecular Weight

  • 539.6213
 
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Names and Synonyms

Name of Substance

  • Sapintoxin D

Synonyms

  • CCRIS 7233
  • Sapintoxin D

Systematic Names

  • 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
  • Benzoic acid, 2-(methylamino)-, 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, (1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-
  • Sapintoxin D

Registry Numbers

CAS Registry Number

  • 80998-07-8

System Generated Number

  • 0080998078

Structure Descriptors

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

InChIKey

UPAIGGMQTARRMN-CSSCWBSHSA-N

Smiles

CNc1ccccc1C(=O)O[C@@H]2[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]5C(C)(C)[C@]25OC(=O)C