Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3β)-

CAS Registry Number®

1721-69-3

CAS Name

Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3β)-

Molecular Formula

C34H54O4

Molecular Mass

526.79

Cite this Page

Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1721-69-3 (retrieved 2024-11-28) (CAS RN: 1721-69-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-218.5 °C

  • Density (2)

    0.9635 g/cm³ @ Temp: 28.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C34H54O4/c1-21(2)24-12-17-34(20-37-22(3)35)19-18-32(8)25(29(24)34)10-11-27-31(7)15-14-28(38-23(4)36)30(5,6)26(31)13-16-33(27,32)9/h24-29H,1,10-20H2,2-9H3/t24-,25+,26-,27+,28-,29+,31-,32+,33+,34+/m0/s1

InChIKey

InChIKey=MIROITGPMGDCGI-MQXQNARFSA-N

SMILES

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

Canonical SMILES

O=C(OCC12CCC(C(=C)C)C2C3CCC4C5(C)CCC(OC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1)C

Other Names for this Substance

  • Lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3β)-
  • Lup-20(29)-ene-3β,28-diol, diacetate
  • Lup-20(29)-ene-3,28-diol, diacetate, (3β)-
  • Lup-20(30)-ene-3β,28-diol, diacetate
  • Betulin diacetate

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