Sabadine

CAS Registry Number®

124-80-1

CAS Name

Sabadine

Molecular Formula

C29H47NO8

Molecular Mass

537.69

Cite this Page

Sabadine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124-80-1 (retrieved 2025-03-12) (CAS RN: 124-80-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    258 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C29H47NO8/c1-15-5-8-22-26(4,34)29(37)21(14-30(22)13-15)28(36)11-19-17(27(28,35)12-23(29)32)6-7-18-24(33)20(38-16(2)31)9-10-25(18,19)3/h15,17-24,32-37H,5-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26+,27+,28+,29-/m0/s1

InChIKey

InChIKey=IJZIXCZIZHENJV-ONCBQHFTSA-N

SMILES

O[C@]12[C@](O)([C@]3([C@](C1)([C@]4(C)[C@](CC3)([C@H](O)[C@@H](OC(C)=O)CC4)[H])[H])[H])C[C@H](O)[C@@]5(O)[C@]2(CN6[C@]([C@@]5(C)O)(CC[C@H](C)C6)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3C2CC4(O)C5CN6CC(C)CCC6C(O)(C)C5(O)C(O)CC34O)C1O)C

Other Names for this Substance

  • Cevane-3,4,12,14,16,17,20-heptol, 3-acetate, (3β,4α,16β)-
  • Sabadine

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