Methyl (3α,4β)-3-(acetyloxy)-11-oxours-12-en-23-oate

CAS Registry Number®

17019-95-3
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CAS Name

Methyl (3α,4β)-3-(acetyloxy)-11-oxours-12-en-23-oate

Molecular Formula

C33H50O5

Molecular Mass

526.75

Cite this Page

Methyl (3α,4β)-3-(acetyloxy)-11-oxours-12-en-23-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17019-95-3 (retrieved 2024-09-19) (CAS RN: 17019-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    192-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H50O5/c1-19-10-13-29(4)16-17-31(6)22(26(29)20(19)2)18-23(35)27-30(5)14-12-25(38-21(3)34)33(8,28(36)37-9)24(30)11-15-32(27,31)7/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24-,25-,26+,27-,29-,30+,31-,32-,33-/m1/s1

InChIKey

InChIKey=LFLJTCVAAOWHTD-XRZGVHHMSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@](C(OC)=O)(C)[C@H](OC(C)=O)CC3)[H])(C(=O)C=C4[C@@]2(C)CC[C@]5(C)[C@]4([C@@H](C)[C@H](C)CC5)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C(=O)OC)C)C

Other Names for this Substance

  • Urs-12-en-23-oic acid, 3-(acetyloxy)-11-oxo-, methyl ester, (3α,4β)-
  • Urs-12-en-24-oic acid, 3α-hydroxy-11-oxo-, methyl ester, acetate
  • Methyl (3α,4β)-3-(acetyloxy)-11-oxours-12-en-23-oate

Deleted or Replaced CAS Registry Numbers

14021-31-9