Penitrem B

CAS Registry Number®

11076-67-8
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CAS Name

Penitrem B

Molecular Formula

C37H45NO5

Molecular Mass

583.76

Cite this Page

Penitrem B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11076-67-8 (retrieved 2024-09-19) (CAS RN: 11076-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H45NO5/c1-16(2)29-28(39)32-37(43-32)23(41-29)11-12-34(6)35(7)20(10-13-36(34,37)40)30-27-26-22(38-31(27)35)9-8-18-14-17(3)19-15-21(25(19)24(18)26)33(4,5)42-30/h8-9,19-21,23,25,28-30,32,38-40H,1,3,10-15H2,2,4-7H3/t19-,20+,21+,23-,25+,28+,29-,30+,32-,34-,35-,36+,37+/m1/s1

InChIKey

InChIKey=CRPJNVUYZRFGAK-XAQUJXFWSA-N

SMILES

O[C@]12[C@]34[C@](O3)([C@@H](O)[C@@H](C(C)=C)O[C@@]4(CC[C@]1(C)[C@@]5(C)C6=C7[C@]([C@@]5(CC2)[H])(OC(C)(C)[C@@]8([C@]9(C%10=C7C(N6)=CC=C%10CC(=C)[C@]9(C8)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OC1C(OC2CCC3(C)C(O)(CCC4C5OC(C)(C)C6CC7C(=C)CC8=CC=C9NC(=C5C9=C8C76)C43C)C%102OC1%10)C(=C)C

Other Names for this Substance

  • 7,8-(Epoxymethano)-2H,6H-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-3,4b(5H)-diol, 3,3a,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-hexadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3S,3aR,4aS,4bS,6aR,7S,7dS,8S,9aS,14bR,14cR,16aS)-
  • Penitrem A, 6-dechloro-15-deoxy-
  • (2R,3S,3aR,4aS,4bS,6aR,7S,7dS,8S,9aS,14bR,14cR,16aS)-3,3a,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-Hexadecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-7,8-(epoxymethano)-2H,6H-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole-3,4b(5H)-diol
  • Tremortin B
  • Penitrem B

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Deleted or Replaced CAS Registry Numbers

12627-36-0