Bourjotinolone A

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For Research Use Only.
Category
Terpenes
Cat.No.
NP6325
CAS
6985-35-9
Product Name
Bourjotinolone A
Structure
Structure

Product Details

Description
Bourjotinolone A is a natural triterpenoid found in the barks of Phellodendron chinense Schneid.
Synonyms
21,24R-Epoxy-23R,25-dihydroxytirucall-7-en-3-one
IUPAC Name
(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5-hydroxy-6-(2-hydroxypropan-2-yl)oxan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular Weight
472.7
Molecular Formula
C30H48O4
Canonical SMILES
CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C
InChI
InChI=1S/C30H48O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(34-17-18)27(3,4)33/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,25+,28-,29+,30-/m1/s1
InChIKey
RNETYSXHFSDFMM-VRUJEOEASA-N
Boiling Point
583.1±50.0 °C(Predicted)
Melting Point
176 °C
Purity
>95%
Density
1.12±0.1 g/cm3(Predicted)
Appearance
Powder
pKa
14.39±0.60(Predicted)
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