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Substance Name: Sapintoxin C
RN: 81345-28-0
InChIKey: KESIQXYRXFIECZ-UNEHIJSCSA-N

Molecular Formula

  • C30-H37-N-O7

Molecular Weight

  • 523.6223
 
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Names and Synonyms

Results Name

  • Sapintoxin C

Synonym

  • Sapintoxin C

Systematic Name

  • Benzoic acid, 2-(methylamino)-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4,7b-dihydroxy-1,1,3,6,8-pentamethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4beta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 81345-28-0

System Generated Number

  • 0081345280

Structure Descriptors

InChI

1S/C30H37NO7/c1-14-12-19-22(23(14)33)24(34)15(2)13-20-25-28(5,6)30(25,38-17(4)32)26(16(3)29(19,20)36)37-27(35)18-10-8-9-11-21(18)31-7/h8-13,16,19-20,22,24-26,31,34,36H,1-7H3/t16-,19-,20+,22+,24-,25-,26-,29+,30-/m1/s1

InChIKey

KESIQXYRXFIECZ-UNEHIJSCSA-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)C