Methyl betulinate

CAS Registry Number®

2259-06-5

CAS Name

Methyl betulinate

Molecular Formula

C31H50O3

Molecular Mass

470.73

Cite this Page

Methyl betulinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2259-06-5 (retrieved 2024-11-22) (CAS RN: 2259-06-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    224-225 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1

InChIKey

InChIKey=XNZIMRUZBOZIBC-JVRMVBBZSA-N

SMILES

C(OC)(=O)[C@]12[C@@]([C@@]3([C@@](C)(CC1)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O)CC5)[H])[H])[H])([C@H](C(C)=C)CC2)[H]

Canonical SMILES

O=C(OC)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3β)-
  • Lup-20(29)-en-28-oic acid, 3β-hydroxy-, methyl ester
  • Lup-20(30)-en-28-oic acid, 3β-hydroxy-, methyl ester
  • 1H-Cyclopenta[a]chrysene, lup-20(29)-en-28-oic acid deriv.
  • Methyl betulinate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration