Cevadine

CAS Registry Number®

62-59-9
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CAS Name

Cevadine

Molecular Formula

C32H49NO9

Molecular Mass

591.73

Cite this Page

Cevadine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=62-59-9 (retrieved 2024-04-28) (CAS RN: 62-59-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    213.5 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3/b18-6-/t17-,19-,20-,21-,22-,23-,24-,26-,27+,28+,29+,30+,31-,32-/m0/s1

InChIKey

InChIKey=DBUCFOVFALNEOO-HWBIYQLFSA-N

SMILES

C[C@@]12[C@]34[C@]([C@@]5(O)[C@@](O)(C3)[C@]6([C@](O)([C@@H](O)C5)[C@](C)(O)[C@]7(N(C6)C[C@@H](C)CC7)[H])[H])(CC[C@@]1([C@](O)(O4)[C@@H](OC(/C(=C\C)/C)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CCC4C5(O)CC(O)C6(O)C(CN7CC(C)CCC7C6(O)C)C5(O)CC42OC13O)C(=CC)C

Other Names for this Substance

  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-[(2Z)-2-methyl-2-butenoate], (3β,4α,16β)-
  • Cevane-3β,4β,12,14,16β,17,20-heptol, 4,9-epoxy-, 3-(2-methylcrotonate), (Z)-
  • Cevadine
  • Cevane-3,4,12,14,16,17,20-heptol, 4,9-epoxy-, 3-(2-methyl-2-butenoate), [3β(Z),4α,16β]-
  • Cevadin

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Deleted or Replaced CAS Registry Numbers

51838-64-3

CAS INSIGHTSTM
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