Methyl 15-hydroxy-7-oxodehydroabietate

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1550

CAS

60188-95-6

Product Name

Methyl 15-hydroxy-7-oxodehydroabietate

Structure

Product Details

Description

Methyl 15-hydroxy-7-oxodehydroabietate is extracted from the pine cone of Pinus yunnanensis.

Synonyms

Methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate; Methyl 15-hydroxy-7-oxoabieta-9(11),8(14),12-trien-18-oate

IUPAC Name

methyl (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate

Molecular Weight

344.44

Molecular Formula

C21H28O4

Canonical SMILES

CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)OC

InChI

InChI=1S/C21H28O4/c1-19(2,24)13-7-8-15-14(11-13)16(22)12-17-20(15,3)9-6-10-21(17,4)18(23)25-5/h7-8,11,17,24H,6,9-10,12H2,1-5H3/t17-,20-,21-/m1/s1

InChIKey

VGWVMAMFNRSDED-DUXKGJEZSA-N

Boiling Point

477.5±45.0 °C(Predicted)

Density

1.135±0.06 g/cm3(Predicted)

Appearance

Powder

Form

Oil

pKa

14.43±0.29(Predicted)

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