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Penitrem A

CAS Registry Number®

12627-35-9

CAS Name

Penitrem A

Molecular Formula

C37H44ClNO6

Molecular Mass

634.20

Cite this Page

Penitrem A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=12627-35-9 (retrieved 2024-12-28) (CAS RN: 12627-35-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1

InChIKey

InChIKey=JDUWHZOLEDOQSR-JKPSMKLGSA-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(O)C%10=C7C(N6)=CC(Cl)=C%10CC(=C)[C@]9(C8)[H])[H])[H])[H])[H]

Canonical SMILES

ClC=1C=C2NC3=C4C2=C5C1CC(=C)C6CC(C56O)C(OC4C7CCC8(O)C9%10OC%10C(O)C(OC9CCC8(C)C37C)C(=C)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,7d(5H,7H)-triol, 12-chloro-3,3a,6a,8,9,9a,10,11,14,14b,14c,15,16,16a-tetradecahydro-14b,14c,17,17-tetramethyl-10-methylene-2-(1-methylethenyl)-, (2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8R,9aR,14bS,14cR,16aS)-
  • Penitrem A
  • 7,8-(Epoxymethano)-2H,4bH-cyclobuta[5,6]benz[1,2-e]oxireno[4′,4′a]-1-benzopyrano[5′,6′:6,7]indeno[1,2-b]indole, penitrem A deriv.
  • (2R,3S,3aR,4aS,4bS,6aR,7S,7dR,8R,9aR,14bS,14cR,16aS)-12-Chloro-3,3a,6a,8,9,9a,10,11,14,14b,14c,15,16,16a-tetradecahydro-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,7d(5H,7H)-triol
  • Tremortin A

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Deleted or Replaced CAS Registry Numbers

12679-82-2

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