Cabraleadiol 3-acetate

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6777

CAS

35833-62-6

Product Name

Cabraleadiol 3-acetate

Structure

Product Details

Description

Cabraleadiol 3-acetate is a natural compound isolated from the herbs of Aglaia lawii.

Synonyms

Cabraleadiol monoacetate

IUPAC Name

[(3R,5R,8R,9R,10R,13R,14R,17S)-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Molecular Weight

502.78

Molecular Formula

C32H54O4

Canonical SMILES

CC(=O)OC1CCC2(C3CCC4C(CCC4(C3(CCC2C1(C)C)C)C)C5(CCC(O5)C(C)(C)O)C)C

InChI

InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21-,22+,23+,24-,25-,26+,29+,30-,31-,32+/m1/s1

InChIKey

MYKPKZPRXSYQEQ-QCPMDXGFSA-N

Boiling Point

546.1±15.0 °C(Predicted)

Melting Point

158-160 °C(Solv: dichloromethanole (75-09-2))

Density

1.07±0.1 g/cm3(Predicted)

Appearance

Cryst.

pKa

14.57±0.29(Predicted)

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