Chem
J-GLOBAL ID：200907027741179526   Nikkaji number：J1.985.288A

Octanoic acid [(2aS,3Z,5S,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-7,10,12-triacetoxy-5,11-dihydroxy-4,7a,11,13a-tetramethyl-1-oxo-1,2a,5,7,7a,10,11,11a,12,13a-decahydro-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan]-6-yl ester

(1S,2R,3S,4S,5R,8S,9R,10R,11S,12Z,14S,17R)-2,5,9-トリス(アセチルオキシ)-4,11-ジヒドロキシ-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-10-イル オクタノアート
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： C34H48O13
Molecular formula furigana： C34-H48-O13
Molecular weight： 664.745
InChI： InChI=1S/C34H48O13/c1-9-10-11-12-13-14-24(38)46-26-25(39)18(2)17-23-34(33(8,47-34)30(40)45-23)29(44-21(5)37)27-31(6,28(26)43-20(4)36)16-15-22(32(27,7)41)42-19(3)35/h15-17,22-23,25-29,39,41H,9-14H2,1-8H3/b18-17-/t22-,23+,25+,26-,27-,28+,29?,31+,32-,33+,34+/m1/s1
InChI key： WAXCZHYZIPNANU-ILAYFOOYSA-N
SMILES： CCCCCCCC(=O)O[C@@H]1[C@@H](O)/C(=C\[C@@H]2OC(=O)[C@]3(C)O[C@]23C(OC(=O)C)[C@H]2[C@](C)(O)[C@H](OC(=O)C)C=C[C@]2(C)[C@H]1OC(=O)C)/C
Systematic name  (3)：
  • オクタン酸[(2aS,3Z,5S,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-7,10,12-トリアセトキシ-5,11-ジヒドロキシ-4,7a,11,13a-テトラメチル-1-オキソ-1,2a,5,7,7a,10,11,11a,12,13a-デカヒドロ-6H-ベンゾ[4,5]シクロデカ[1,2-b]オキシレノ[c]フラン]-6-イル
  • (1S,2R,3S,4S,5R,8S,9R,10R,11S,12Z,14S,17R)-2,5,9-トリス(アセチルオキシ)-4,11-ジヒドロキシ-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-10-イル オクタノアート
  • (1S,2R,3S,4S,5R,8S,9R,10R,11S,12Z,14S,17R)-2,5,9-tris(acetyloxy)-4,11-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.01,17.03,8]octadeca-6,12-dien-10-yl octanoate
Other name (1)：
  • Octanoic acid [(2aS,3Z,5S,6R,7R,7aS,10R,11S,11aS,12R,12aS,13aR)-7,10,12-triacetoxy-5,11-dihydroxy-4,7a,11,13a-tetramethyl-1-oxo-1,2a,5,7,7a,10,11,11a,12,13a-decahydro-6H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan]-6-yl ester
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