Chem
J-GLOBAL ID：200907063944217519   Nikkaji number：J1.985.291A

(2aS,3Z,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-6,7,10,12-Tetraacetoxy-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-1(13aH)-one

(1S,2R,3S,4S,5R,8S,9R,10R,12Z,14S,17R)-2,5,10-トリス(アセチルオキシ)-4-ヒドロキシ-4,8,12,17-テトラメチル-16-オキソ-15,18-ジオキサテトラシクロ[12.4.0.01,17.03,8]オクタデカ-6,12-ジエン-9-イル アセタート
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H36O12
Molecular formula furigana： C28-H36-O12
Molecular weight： 564.584
InChI： InChI=1S/C28H36O12/c1-13-11-18(35-14(2)29)22(37-16(4)31)25(6)10-9-19(36-15(3)30)26(7,34)21(25)23(38-17(5)32)28-20(12-13)39-24(33)27(28,8)40-28/h9-10,12,18-23,34H,11H2,1-8H3/b13-12-/t18-,19-,20+,21-,22+,23?,25+,26-,27+,28+/m1/s1
InChI key： WHOHBNAPLIHMRD-WXXPIRSLSA-N
SMILES： CC(=O)O[C@@H]1C=C[C@@]2(C)[C@@H](C(OC(=O)C)[C@]34O[C@@]3(C)C(=O)O[C@H]4/C=C(/C)\C[C@@H](OC(=O)C)[C@@H]2OC(=O)C)[C@]1(C)O
Systematic name  (3)：
  • (2aS,3Z,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-6,7,10,12-テトラアセトキシ-2a,5,7,7a,10,11,11a,12-オクタヒドロ-11-ヒドロキシ-4,7a,11,13a-テトラメチル-6H-ベンゾ[4,5]シクロデカ[1,2-b]オキシレノ[c]フラン-1(13aH)-オン
  • (1S,2R,3S,4S,5R,8S,9R,10R,12Z,14S,17R)-2,5,10-トリス(アセチルオキシ)-4-ヒドロキシ-4,8,12,17-テトラメチル-16-オキソ-15,18-ジオキサテトラシクロ[12.4.0.01,17.03,8]オクタデカ-6,12-ジエン-9-イル アセタート
  • (1S,2R,3S,4S,5R,8S,9R,10R,12Z,14S,17R)-2,5,10-tris(acetyloxy)-4-hydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-9-yl acetate
Other name (1)：
  • (2aS,3Z,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-6,7,10,12-Tetraacetoxy-2a,5,7,7a,10,11,11a,12-octahydro-11-hydroxy-4,7a,11,13a-tetramethyl-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-1(13aH)-one
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