CAS Registry Number®
473-98-3
CAS Name
Betulin
Molecular Formula
C30H50O2
Molecular Mass
442.72
Compound Properties
-
Boiling Point (1)
157.8 °C @ Press: 12 Torr
-
Melting Point (2)
250 °C
-
Density (1)
0.9777 g/cm³ @ Temp: 16 °C
Source(s)
- (1) Semmler, F. W.; Berichte der Deutschen Chemischen Gesellschaft, (1918), 51, 417-24, CAplus
- (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
Other Names and Identifiers
InChI
InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey
InChIKey=FVWJYYTZTCVBKE-ROUWMTJPSA-N
SMILES
C(O)[C@]12[C@@]([C@@]3([C@](C)([C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])CC1)[H])([C@H](C(C)=C)CC2)[H]
Canonical SMILES
OCC12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
Other Names for this Substance
- Lup-20(29)-ene-3,28-diol, (3β)-
- Lup-20(29)-ene-3β,28-diol
- Lup-20(30)-ene-3β,28-diol
- 3aH-Cyclopenta[a]chrysene, lup-20(29)-ene-3,28-diol deriv.
- (3β)-Lup-20(29)-ene-3,28-diol
- Betuline
- Betulin
- Betulinol
- Trochol
- Betulol
- 3β,28-Dihydroxylup-20(29)-ene
- NSC 4644
- Betulinic alcohol
- (+)-Betulin
- 3,28-Dihydroxy-lupeol
Deleted or Replaced CAS Registry Numbers
1406-58-2, 1192133-66-6, 1417540-43-2, 2088830-44-6
