Oxyallobetulin

CAS Registry Number®

24035-70-9
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CAS Name

Oxyallobetulin

Molecular Formula

C30H48O3

Molecular Mass

456.70

Cite this Page

Oxyallobetulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=24035-70-9 (retrieved 2024-09-19) (CAS RN: 24035-70-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    330 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30-17-15-28(6)18(22(30)23(25)33-24(30)32)8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-29(20,28)7/h18-23,31H,8-17H2,1-7H3/t18-,19+,20-,21+,22+,23-,27+,28-,29-,30+/m1/s1

InChIKey

InChIKey=BVJDDPRBYGBPKD-TVZSAIOCSA-N

SMILES

O=C1[C@]23[C@@]([C@@]4([C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O)CC6)[H])[H])[H])([C@@](O1)(C(C)(C)CC3)[H])[H]

Canonical SMILES

O=C1OC2C3C4CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4(C)CCC13CCC2(C)C

Other Names for this Substance

  • Oleanan-28-oic acid, 3,19-dihydroxy-, γ-lactone, (3β,18α,19β)-
  • 18α-Oleanan-28-oic acid, 3β,19β-dihydroxy-, γ-lactone
  • 2H-1,4a-(Epoxymethano)picene, oleanan-28-oic acid deriv.
  • Oxyallobetulin
  • 28-Oxyallobetulin

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Deleted or Replaced CAS Registry Numbers

11051-64-2, 19122-88-4, 60441-30-7