Allobetulin
CAS Registry Number®
1617-72-7
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CAS Name
AllobetulinMolecular Formula
C30H50O2Molecular Mass
442.72Cite this Page
Allobetulin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1617-72-7 (retrieved ) (CAS RN: 1617-72-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
260-261 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C30H50O2/c1-25(2)14-16-30-17-15-28(6)19(23(30)24(25)32-18-30)8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-29(21,28)7/h19-24,31H,8-18H2,1-7H3/t19-,20+,21-,22+,23+,24-,27+,28-,29-,30-/m1/s1
InChIKey
InChIKey=BZNIIOGSANMIET-HWNNWUPFSA-N
SMILES
C[C@]12[C@@]([C@@]3([C@]4(CC1)CO[C@]3(C(C)(C)CC4)[H])[H])(CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O)C6(C)C)[H])[H])[H]
Canonical SMILES
OC1CCC2(C)C(CCC3(C)C2CCC4C5C6OCC5(CCC6(C)C)CCC43C)C1(C)C
Other Names for this Substance
- Oleanan-3-ol, 19,28-epoxy-, (3β,18α,19β)-
- 18α-Oleanan-3β-ol, 19β,28-epoxy-
- Allobetulinol
- 2H-1,4a-(Epoxymethano)picene, oleanan-3-ol deriv.
- (3β,18α,19β)-19,28-Epoxyoleanan-3-ol
Deleted or Replaced CAS Registry Numbers
20697-41-0, 1239919-24-4
