Phellochin

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6948

CAS

115334-04-8

Product Name

Phellochin

Structure

Product Details

Description

Phellochin is a natural triterpenoid found in the barks of Phellodendron chinense.

Synonyms

(23R,24S)-23,24-Dihydroxy-25-methoxy-5α-tirucall-7-en-3-one

IUPAC Name

(9R,10R,13S,14S,17R)-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Molecular Weight

488.8

Molecular Formula

C31H52O4

Canonical SMILES

CC(CC(C(C(C)(C)OC)O)O)C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C

InChI

InChI=1S/C31H52O4/c1-19(18-23(32)26(34)28(4,5)35-9)20-12-16-31(8)22-10-11-24-27(2,3)25(33)14-15-29(24,6)21(22)13-17-30(20,31)7/h10,19-21,23-24,26,32,34H,11-18H2,1-9H3/t19-,20+,21-,23+,24?,26-,29+,30-,31+/m0/s1

InChIKey

OCURJKDUYAFAQG-RLXWAGRASA-N

Boiling Point

589.2±50.0 °C(Predicted)

Melting Point

173-175 °C

Purity

>95%

Density

1.07±0.1 g/cm3(Predicted)

Appearance

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