Pristimerin

CAS Registry Number®

1258-84-0
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CAS Name

Pristimerin

Molecular Formula

C30H40O4

Molecular Mass

464.64

Cite this Page

Pristimerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1258-84-0 (retrieved 2024-05-03) (CAS RN: 1258-84-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    218-219 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1

InChIKey

InChIKey=JFACETXYABVHFD-WXPPGMDDSA-N

SMILES

C[C@@]12[C@](C)([C@]3([C@@](C)(CC1)CC[C@](C(OC)=O)(C)C3)[H])CC[C@]4(C)C2=CC=C5C4=CC(=O)C(O)=C5C

Canonical SMILES

O=C1C=C2C(=CC=C3C2(C)CCC4(C)C5CC(C(=O)OC)(C)CCC5(C)CCC34C)C(=C1O)C

Other Names for this Substance

  • 24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, methyl ester, (9β,13α,14β,20α)-
  • 24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
  • Pristimerin
  • D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20α)-
  • Celastrol, methyl ester

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