Mupinensisone

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6699

CAS

152253-67-3

Product Name

Mupinensisone

Structure

Product Details

Description

Mupinensisone is a natural triterpenoid found in the herbs of Celastrus paniculatus.

Synonyms

(20alpha)-29-Hydroxyolean-12-en-3-one

IUPAC Name

(4aR,6aR,6bS,8aS,11R,12aR,14aR,14bR)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-2,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-1H-picen-3-one

Molecular Weight

440.71

Molecular Formula

C30H48O2

Canonical SMILES

CC1(C2CCC3(C(C2(CCC1=O)C)CC=C4C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C

InChI

InChI=1S/C30H48O2/c1-25(2)22-10-13-30(7)23(28(22,5)12-11-24(25)32)9-8-20-21-18-26(3,19-31)14-15-27(21,4)16-17-29(20,30)6/h8,21-23,31H,9-19H2,1-7H3/t21-,22-,23+,26+,27+,28-,29+,30+/m0/s1

InChIKey

LZJSBKQYABASHG-OQYAAAAFSA-N

Boiling Point

522.7±50.0 °C(Predicted)

Purity

>95%

Density

1.05±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

15.04±0.10(Predicted)

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