Convallamarogenin

CAS Registry Number®

16683-27-5

CAS Name

Convallamarogenin

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

Convallamarogenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16683-27-5 (retrieved 2024-12-23) (CAS RN: 16683-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-261 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey

InChIKey=XLHFBXMTUNORSV-ZENYHQJXSA-N

SMILES

C[C@@]12[C@@]3([C@@](O[C@@]4([C@H]3C)CCC(=C)CO4)(C[C@]1([C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O)C[C@H]6O)[H])[H])[H])[H])[H])[H]

Canonical SMILES

OC1CC(O)C2(C)C(CCC3C2CCC4(C)C3CC5OC6(OCC(=C)CC6)C(C)C54)C1

Other Names for this Substance

  • Spirost-25(27)-ene-1,3-diol, (1β,3β,5β)-
  • 5β-Spirost-25(27)-ene-1β,3β-diol
  • Convallamarogenin
  • (1β,3β,5β)-Spirost-25(27)-ene-1,3-diol
  • 1β,3β-Dihydroxy-5β-spirost-25(27)-ene

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Deleted or Replaced CAS Registry Numbers

472-12-8

CAS INSIGHTSTM
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