Yunnanxane

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1489
CAS
139713-81-8
Product Name
Yunnanxane
Structure

Product Details

Description
Yunnanxane is extracted from the heartwood of Taxus cuspidata. It is also extracted from cell cultures of Taxus chinensis and Taxus cuspidata. It is a taxane diterpenoid and has bioactive effect. It may has anticancer activity in vitro.
Synonyms
(2R,3S)-3-Hydroxy-2-methylbutanoic acid (3S,4aS,5S,6S,7S,11S,12aS)-3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester; Butanoic acid, 3-hydroxy-2-methyl-, 3,5,11-tris(acetyloxy)-1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-9,12a,13,13-tetramethyl-4-methylene-6,10-methanobenzocyclodecen-7-yl ester, (3S-(3alpha,4aalpha,5alpha,6beta,7beta(2S*,3R*),11beta,12abeta))-; 2,5,10-Triacetoxytaxa-4(20),11-dien-14-yl 3-hydroxy-2-methylbutanoate
IUPAC Name
[(1R,2R,3R,8R,10R,14S)-2,5,10-triacetyloxy-8,12,15,15-tetramethyl-4-methylidene-14-tricyclo[9.3.1.03,8]pentadec-11-enyl] (2R,3S)-3-hydroxy-2-methylbutanoate
Molecular Weight
562.69
Molecular Formula
C31H46O9
Canonical SMILES
CC1=C2C(CC3(CCC(C(=C)C3C(C(C2(C)C)C(C1)OC(=O)C(C)C(C)O)OC(=O)C)OC(=O)C)C)OC(=O)C
InChI
InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16?,18?,22-,23-,24-,26-,27-,28-,31-/m0/s1
InChIKey
FMPIEMVVEJGMCY-IRWPHOLZSA-N
Melting Point
161 °C
Purity
98.0%
Appearance
Cryst.
Form
Powder
Packaging
1 mg
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