Hederagenin

CAS Registry Number®

465-99-6
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CAS Name

Hederagenin

Molecular Formula

C30H48O4

Molecular Mass

472.70

Cite this Page

Hederagenin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=465-99-6 (retrieved 2024-04-26) (CAS RN: 465-99-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    325 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

InChIKey

InChIKey=PGOYMURMZNDHNS-MYPRUECHSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O)[C@]5(CO)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,23-dihydroxy-, (3β,4α)-
  • Olean-12-en-28-oic acid, 3β,23-dihydroxy-
  • (3β,4α)-3,23-Dihydroxyolean-12-en-28-oic acid
  • Caulosapogenin
  • Hederagenin

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Deleted or Replaced CAS Registry Numbers

2102352-61-2

CAS INSIGHTSTM
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