Hederagenin
CAS Registry Number®
465-99-6
CAS Name
HederageninMolecular Formula
C30H48O4Molecular Mass
472.70Cite this Page
Hederagenin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=465-99-6 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
2102352-61-2