1-Oxohederagenin

For Research Use Only.
Category
Triterpenoids
Cat.No.
NP7076
CAS
618390-67-3
Product Name
1-Oxohederagenin
Structure

Product Details

Description
1-Oxohederagenin is a remarkable natural compound widely utilized in the biomedical sector, garnering significant attention due to its immense potential in the research of drug development targeting an array of ailments encompassing cancer, diabetes, inflammation and cardiovascular disorders.
Synonyms
3β,23-Dihydroxy-1-oxo-olean-12-en-28-oic acid
IUPAC Name
(4aS,6aS,6aS,6bR,8aS,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
Molecular Weight
486.68
Molecular Formula
C30H46O5
Canonical SMILES
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(C(=O)CC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C
InChI
InChI=1S/C30H46O5/c1-25(2)11-13-30(24(34)35)14-12-27(4)18(19(30)16-25)7-8-21-28(27,5)10-9-20-26(3,17-31)22(32)15-23(33)29(20,21)6/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35)/t19-,20-,21-,22-,26-,27+,28+,29-,30-/m0/s1
InChIKey
BYWZDPHXZQSASO-DLRRJOOFSA-N
Boiling Point
620.2±55.0 °C at 760 mmHg
Melting Point
245-247°C
Purity
97%
Density
1.19±0.1 g/cm3
Form
Powder
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