Chem
J-GLOBAL ID：200907028587543356   Nikkaji number：J1.886.722B

(4S,7S)-2α-(4-Methoxyphenyl)-7,13α-dihydroxy-10-methylene-13aα,14,14-trimethyl-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-dodecahydro-4,7-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-8(9H)-one

(1S,2R,4R,6R,7S,8S,12R,15S)-8,15-ジヒドロキシ-4-(4-メトキシフェニル)-7,18,18-トリメチル-11-メチリデン-3,5-ジオキサテトラシクロ[13.2.1.02,6.07,12]オクタデカン-14-オン
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： C27H36O6
Molecular formula furigana： C27-H36-O6
Molecular weight： 456.579
InChI： InChI=1S/C27H36O6/c1-15-6-11-20(28)26(4)19(15)14-21(29)27(30)13-12-18(25(27,2)3)22-23(26)33-24(32-22)16-7-9-17(31-5)10-8-16/h7-10,18-20,22-24,28,30H,1,6,11-14H2,2-5H3/t18-,19-,20+,22-,23+,24-,26+,27-/m1/s1
InChI key： VCPXOVBPNRPUCX-SYGJTYIISA-N
SMILES： COc1ccc(cc1)[C@@H]1O[C@@H]2[C@H]3CC[C@@](O)(C(=O)C[C@@H]4C(=C)CC[C@H](O)[C@@]4(C)[C@H]2O1)C3(C)C
Systematic name  (3)：
  • (4S,7S)-2α-(4-メトキシフェニル)-7,13α-ジヒドロキシ-10-メチレン-13aα,14,14-トリメチル-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-ドデカヒドロ-4,7-メタノベンゾ[3,4]シクロデカ[1,2-d]-1,3-ジオキソール-8(9H)-オン
  • (1S,2R,4R,6R,7S,8S,12R,15S)-8,15-ジヒドロキシ-4-(4-メトキシフェニル)-7,18,18-トリメチル-11-メチリデン-3,5-ジオキサテトラシクロ[13.2.1.02,6.07,12]オクタデカン-14-オン
  • (1S,2R,4R,6R,7S,8S,12R,15S)-8,15-dihydroxy-4-(4-methoxyphenyl)-7,18,18-trimethyl-11-methylidene-3,5-dioxatetracyclo[13.2.1.02,6.07,12]octadecan-14-one
Other name (1)：
  • (4S,7S)-2α-(4-Methoxyphenyl)-7,13α-dihydroxy-10-methylene-13aα,14,14-trimethyl-3aβ,4,5,6,7,9aβ,10,11,12,13,13a,13bα-dodecahydro-4,7-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-8(9H)-one
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