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Substance Name: Paspalitrem C
RN: 90866-61-8
InChIKey: MXOIVWLOTRYIQC-UHFFFAOYSA-N

Molecular Formula

  • C32-H39-N-O4

Molecular Weight

  • 501.663
 
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Names and Synonyms

Results Name

  • Paspalitrem C

Synonym

  • 4-(3-Methyl-2-butenyl)paspalinine

Systematic Names

  • 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-9-(3-methyl-2-butenyl)-, (3R,5bS,7aS,13bS,13cR,15aS)-
  • 4H-3,15a-Epoxy-1-benzoxepino(6',7':6,7)indeno(1,2-b)indol-4-one, 2,3,5b,6,7,7a,8,13,13b,13c,14,15-dodecahydro-5b-hydroxy-2,2,13b,13c-tetramethyl-9-(3-methyl-2-butenyl)-, (3R-(3alpha,5balpha,7abeta,13balpha,13cbeta,15aalpha))-

Registry Numbers

CAS Registry Number

  • 90866-61-8

System Generated Number

  • 0090866618

Structure Descriptors

InChI

1S/C32H39NO4/c1-18(2)10-11-19-8-7-9-22-25(19)21-16-20-12-13-31(35)24-17-23(34)27-28(3,4)37-32(24,36-27)15-14-29(31,5)30(20,6)26(21)33-22/h7-10,17,20,27,33,35H,11-16H2,1-6H3

InChIKey

MXOIVWLOTRYIQC-UHFFFAOYSA-N

Smiles

c1cc(c2c(c1)[nH]c1c2C[C@@H]2[C@@]1([C@@]1(CC[C@@]34C([C@@]1(CC2)O)=CC([C@@H](C(O3)(C)C)O4)=O)C)C)C\C=C(\C)C