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Substance Name: Sapintoxin B
RN: 81345-29-1
InChIKey: CUWDQBAYWDKQOB-WUTJDDJVSA-N

Molecular Weight

  • 539.6213
 
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Names and Synonyms

Results Name

  • Sapintoxin B

Synonym

  • Sapintoxin B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81345-29-1

System Generated Number

  • 0081345291

Structure Descriptors

InChI

1S/C30H37NO8/c1-14-11-19-22(23(14)34)24(35)17(13-32)12-20-25-28(4,5)30(25,39-16(3)33)26(15(2)29(19,20)37)38-27(36)18-9-7-8-10-21(18)31-6/h7-12,15,19-20,22,24-26,31-32,35,37H,13H2,1-6H3/t15-,19-,20+,22+,24-,25-,26-,29+,30-/m1/s1

InChIKey

CUWDQBAYWDKQOB-WUTJDDJVSA-N

Smiles

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