Picrotin

CAS Registry Number®

21416-53-5
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CAS Name

Picrotin

Molecular Formula

C15H18O7

Molecular Mass

310.30

Cite this Page

Picrotin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=21416-53-5 (retrieved 2024-04-26) (CAS RN: 21416-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1

InChIKey

InChIKey=RYEFFICCPKWYML-QCGISDTRSA-N

SMILES

C[C@]12[C@@]34[C@](O3)(C[C@@]1(O)[C@@]5([C@H]([C@@](C)(C)O)[C@]([C@]2(OC4=O)[H])(OC5=O)[H])[H])[H]

Canonical SMILES

O=C1OC2C3OC(=O)C45OC5CC(O)(C1C2C(O)(C)C)C34C

Other Names for this Substance

  • 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-
  • Picrotin
  • 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-, [1aR-(1aα,2aβ,3β,6β,6aβ,8aS*,8bβ,9S*)]-
  • (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione
  • (-)-Picrotin

Deleted or Replaced CAS Registry Numbers

19914-79-5

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