(3R,3aR,5aS,6aR,6bR,9aR,10aS,10bS)-3-[(1R,4E)-1,5-Dimethyl-6-oxo-4-hexen-1-yl]tetradecahydro-3a,10b-dimethyl-7-methylene-8-oxo-6aH-cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-6a-propanoic acid

CAS Registry Number®

268214-51-3
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CAS Name

(3R,3aR,5aS,6aR,6bR,9aR,10aS,10bS)-3-[(1R,4E)-1,5-Dimethyl-6-oxo-4-hexen-1-yl]tetradecahydro-3a,10b-dimethyl-7-methylene-8-oxo-6aH-cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-6a-propanoic acid

Molecular Formula

C30H42O5

Molecular Mass

482.65

Cite this Page

(3R,3aR,5aS,6aR,6bR,9aR,10aS,10bS)-3-[(1R,4E)-1,5-Dimethyl-6-oxo-4-hexen-1-yl]tetradecahydro-3a,10b-dimethyl-7-methylene-8-oxo-6aH-cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-6a-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=268214-51-3 (retrieved 2024-05-04) (CAS RN: 268214-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82.2-83.1 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H42O5/c1-18(16-31)7-6-8-19(2)21-9-11-28(5)23-15-22-25(20(3)26(34)35-22)30(12-10-24(32)33)17-29(23,30)14-13-27(21,28)4/h7,16,19,21-23,25H,3,6,8-15,17H2,1-2,4-5H3,(H,32,33)/b18-7+/t19-,21-,22-,23+,25-,27-,28+,29+,30-/m1/s1

InChIKey

InChIKey=YLQIANWVVVMWMO-VDPDGNGOSA-N

SMILES

C(CC(O)=O)[C@]12[C@]3([C@]([C@@]4(C)[C@](C)(CC3)[C@@]([C@@H](CC/C=C(/C=O)\C)C)(CC4)[H])(C[C@@]5([C@]1(C(=C)C(=O)O5)[H])[H])[H])C2

Canonical SMILES

O=CC(=CCCC(C)C1CCC2(C)C3CC4OC(=O)C(=C)C4C5(CCC(=O)O)CC35CCC12C)C

Other Names for this Substance

  • 6aH-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-6a-propanoic acid, 3-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexen-1-yl]tetradecahydro-3a,10b-dimethyl-7-methylene-8-oxo-, (3R,3aR,5aS,6aR,6bR,9aR,10aS,10bS)-
  • 10bH-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b-propanoic acid, 4-[(1R,4E)-1,5-dimethyl-6-oxo-4-hexenyl]tetradecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
  • (3R,3aR,5aS,6aR,6bR,9aR,10aS,10bS)-3-[(1R,4E)-1,5-Dimethyl-6-oxo-4-hexen-1-yl]tetradecahydro-3a,10b-dimethyl-7-methylene-8-oxo-6aH-cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-6a-propanoic acid
  • Coronalolide

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