Betulin

CAS Registry Number®

473-98-3

CAS Name

Betulin

Molecular Formula

C30H50O2

Molecular Mass

442.72

Cite this Page

Betulin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=473-98-3 (retrieved 2024-11-21) (CAS RN: 473-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

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)

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

View All

Deleted or Replaced CAS Registry Numbers

1406-58-2, 1192133-66-6, 1417540-43-2, 2088830-44-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration