Bourjotinolone A

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6325

CAS

6985-35-9

Product Name

Bourjotinolone A

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