Secaubrytriol

Inquiry

For Research Use Only.

Category

Terpenes

Cat.No.

NP6395

CAS

925932-10-1

Product Name

Secaubrytriol

Structure

Product Details

Description

Secaubrytriol is a natural compound isolated from the fruits of Gardenia sootepensis.

Synonyms

1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]decahydro-3-[1-(hydroxymethyl)ethenyl]-6a,9a-dimethyl-, (3R,3aR,4aS,6aR,7R,9aS,9bS)-

Molecular Weight

490.725

Molecular Formula

C30H50O5

Canonical SMILES

CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)CO)C)C

InChI

InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1

InChIKey

NFSDEMPRAKPPFK-HIGWZERASA-N

Boiling Point

637.5±30.0 °C(Predicted)

Density

1.14±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

4.78±0.10(Predicted)

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