(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate

Catalog No. :: ACOGXD229
CAS No. :: 227011-48-5
Molecular Formula :: C31H40O11
Molecular Weight :: 588.65

IUPAC Name:(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate

(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate structure diagram

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Product Name	(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate
IUPAC Name	(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate
MDL No.	MFCD29075780
Molecular Formula	C31H40O11
Molecular Weight	588.65
SMILES	CC(=O)O[C@H]1C[C@H](O)[C@]2(CO2)[C@H]2[C@H](OC(C)=O)[C@]3(C(C)(C)O)C[C@H](O)C(C)=C3[C@@H](O)[C@H](OC(=O)C3=CC=CC=C3)[C@]12C
InChI Key	VXDWKDPOYAZLDR-TWEGWBIASA-N
Synonym	9-Deacetyl-9-benzoyl- 10-debenzoyl-4β,20-epoxytaxchinin A;1)abeotax-11-ene;9-Deacetyl-9-benzoyl-10-debenzoyl-4beta,20-epoxytaxchinin A;2alpha,7beta-Diacetoxy-9alpha-benzoyloxy-5alpha,10beta,13alpha,15-tetrahydroxy-4beta(20)-epoxy-11(15-1)abeotax-11-ene;9-Deacetyl-9-benzoyl-10-debenzoyl-4β,20-epoxytaxchinin A;2α7β-Diacetoxy-9α-benzoyloxy-5α10β13α15-tetrahydroxy-4β(20)-epoxy-11(15→1)abeotax-11-ene;Spiro[benz[f]azulene-5(3aH),2'-oxirane]-2,4,6,8,9,10-hexol, 2,3,4,4a,6,7,8,8a,9,10-decahydro-3a-(1-hydroxy-1-methylethyl)-1,8a-dimethyl-, 4,8-diacetate 9-benzoate, (2S,2'R,3aS,4S,4aR,6S,8S,8aS,9R,10R)-
CAS No.	227011-48-5

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ACOGXD229227011-48-5

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ACOGXD229227011-48-5

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(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate

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1. ACOGXD229 Molecular Building Block Synthetic Route

2. ACOGXD229 Molecular Building Block Synthetic Route

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(2S,3aS,4S,4aR,5R,6S,8S,8aS,9R,10R)-9-(benzoyloxy)-2,6,10-trihydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-3,3a,4,4a,6,7,8,8a,9,10-decahydro-2H-spiro[benzo[f]azulene-5,2'-oxirane]-4,8-diyl diacetate

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Synthetic Route by SureRoute

9-Deacetyl-9-benzoyl-10-debenzoyltaxchinin A

10b-acetoxy-4,5,6,8-tetrahydroxy-9a-(2-hydroxypropan-2-yl)-4a,7-dimethyl-2a,3,4,4a,5,6,8,9,9a,10,10a,10b-dodecahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxet-10-yl benzoate

(2aR,4S,4aS,5R,6R,9S,11S,12S,12aR,12bS)-12-(benzoyloxy)-4,5,11-trihydroxy-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,9,12b(2aH)-triyl triacetate

12-(benzoyloxy)-4,5,10,11-tetrahydroxy-4a,8,13,13-tetramethyl-3,4,4a,5,6,9,10,11,12,12a-decahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxete-6,9,12b(2aH)-triyl triacetate

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