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(2R,3R,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-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)-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

CAS Registry Number®

78213-64-6

CAS Name

(2R,3R,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-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)-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

Molecular Formula

C37H45NO4

Molecular Mass

567.76

Cite this Page

(2R,3R,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-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)-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.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78213-64-6 (retrieved 2024-12-27) (CAS RN: 78213-64-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C37H45NO4/c1-17(2)31-25(39)16-22-26(41-31)11-12-35(6)36(7)21(10-13-37(22,35)40)32-30-29-24(38-33(30)36)9-8-19-14-18(3)20-15-23(28(20)27(19)29)34(4,5)42-32/h8-9,16,20-21,23,25-26,28,31-32,38-40H,1,3,10-15H2,2,4-7H3/t20-,21+,23+,25-,26+,28+,31-,32+,35-,36-,37-/m1/s1

InChIKey

InChIKey=XOASTWITKYDKAJ-PPQPEBMASA-N

SMILES

C[C@]12C3=C4C=5C=6[C@@]7([C@@](C(C)(C)O[C@]4([C@@]1(CC[C@]8(O)[C@]2(C)CC[C@]9(C8=C[C@@H](O)[C@@H](C(C)=C)O9)[H])[H])[H])(C[C@@]7(C(=C)CC6C=CC5N3)[H])[H])[H]

Canonical SMILES

OC1C=C2C(OC1C(=C)C)CCC3(C)C2(O)CCC4C5OC(C)(C)C6CC7C(=C)CC8=CC=C9NC(=C5C9=C8C76)C43C

Other Names for this Substance

  • 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, 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,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-
  • Penitrem A, 6-dechloro-23,24-deepoxy-23,24-didehydro-15-deoxy-
  • (2R,3R,4bS,6aR,7S,7dS,8S,9aS,14bS,14cR,16aS)-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)-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
  • Penitrem D
  • 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, 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-(2α,3α,4bβ,6aα,7α,7dβ,8β,9aβ,14bβ,14cα,16aβ)]-

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Deleted or Replaced CAS Registry Numbers

79104-73-7

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