BGC > CAS Search > 139713-81-8

Molecular Formula: C31H46O9
Molecular Weight: 562.69154

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.

• Molecular Weight :562.69
• Melting Point :161 ℃
• Purity :98.0%

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
Appearance :
Cryst.
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

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