1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-(1- methylethenyl)-3-[(2S,5R)-tetrahydro-5-(1- hydroxy-1-methylethyl)-2-methyl-2- furanyl]-,(3S,3aR,5aR,6S,9aR,9bR)-

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For Research Use Only.

Category

Terpenes

Cat.No.

NP6712

CAS

21671-00-1

Product Name

1H-Benz[e]indene-6-propanoic acid,dodecahydro-6,9a,9b-trimethyl-7-(1- methylethenyl)-3-[(2S,5R)-tetrahydro-5-(1- hydroxy-1-methylethyl)-2-methyl-2- furanyl]-,(3S,3aR,5aR,6S,9aR,9bR)-

Structure

Product Details

Description

Shoreic acid, coming from the branchs of Dysoxylum hainanense, showed activity against Mycobacterium tuberculosis.

Synonyms

(24R)-20,24-Epoxy-25-hydroxy-3,4-seco-5α-dammar-4(28)-en-3-oic acid; 20,24-Epoxy-25-hydroxy-3,4-seco-4(28)-dammaren-3-oic acid methyl ester; Shoric acid

IUPAC Name

3-[(3S,3aR,5aR,6S,7S,9aR,9bR)-3-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

Molecular Weight

474.7

Molecular Formula

C30H50O4

Canonical SMILES

CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CCC3C2(CCC3C4(CCC(O4)C(C)(C)O)C)C)C

InChI

InChI=1S/C30H50O4/c1-19(2)20-11-17-29(7)23(27(20,5)15-14-25(31)32)10-9-21-22(12-16-28(21,29)6)30(8)18-13-24(34-30)26(3,4)33/h20-24,33H,1,9-18H2,2-8H3,(H,31,32)/t20-,21+,22-,23+,24+,27-,28+,29+,30-/m0/s1

InChIKey

ZKBGKWZSOPPDSD-INPVNEGFSA-N

Boiling Point

568.3±45.0 °C(Predicted)

Melting Point

102-104 °C

Purity

>98%

Density

1.045±0.06 g/cm3(Predicted)

Appearance

Powder

Application

Cytotoxic/antiviral

pKa

4.74±0.10(Predicted)

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