Hispidone

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6568

CAS

73891-72-2

Product Name

Hispidone

Structure

Product Details

Description

Hispidone is a natural compound isolated from the barks of Phellodendron chinense Schneid.

Synonyms

Hispidone; 73891-72-2; (5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one; ZINC96023767W2581

IUPAC Name

(5R,9R,10R,13S,14S,17S)-17-[(3S,5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-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

472.71

Molecular Formula

C30H48O4

Canonical SMILES

CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CCC4C5CC(C(C(OC5)(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(33)27(3,4)34-17-18/h8,18-20,22-23,25,31,33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,25+,28-,29+,30-/m0/s1

InChIKey

YIBXWXOYFGZLRU-RQKNEUGRSA-N

Boiling Point

569.7±50.0 °C(Predicted)

Purity

97.0%

Density

1.12±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

14.01±0.70(Predicted)