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Substance Name: Penitrem C
RN: 37318-84-6
InChIKey: BVVRIERIEDMORG-UHFFFAOYSA-N

Molecular Formula

  • C37-H44-Cl-N-O4

Molecular Weight

  • 602.211
 
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Names and Synonyms

  • 7,8-(Epoxymethano)-4bH-1-benzopyrano(5',6':6,7)indeno(1,2-b)cyclobuta(5,6)benz(1,2-e)indole-3,4b-diol, 12-chloro-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3R,4bR,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-
  • Penitrem C

Registry Numbers

CAS Registry Number

  • 37318-84-6

System Generated Number

  • 0037318846

Structure Descriptors

InChI

1S/C37H44ClNO4/c1-16(2)31-25(40)14-21-26(42-31)9-10-35(6)36(7)20(8-11-37(21,35)41)32-30-29-24(39-33(30)36)15-23(38)19-12-17(3)18-13-22(27(18)28(19)29)34(4,5)43-32/h14-15,18,20,22,25-27,31-32,39-41H,1,3,8-13H2,2,4-7H3

InChIKey

BVVRIERIEDMORG-UHFFFAOYSA-N

Smiles

C1(Cc2c3c4c([nH]c5c4[C@@H]([C@@H]4[C@@]5([C@@]5([C@@](CC4)(C=4[C@@H](CC5)O[C@@H]([C@@H](C4)O)C(C)=C)O)C)C)OC(C)(C)[C@@H]4[C@@H]3[C@@H]1C4)cc2Cl)=C