Chem
J-GLOBAL ID：200907009573999743   Nikkaji number：J1.886.730C

(4S,8R)-2β-(4-Methoxyphenyl)-6,8-dihydroxy-10-methylene-13α-(tert-butyldimethylsilyloxy)-13aα,14,14-trimethyl-3aβ,4,9,9aβ,10,11,12,13,13a,13bβ-decahydro-4,8-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-7(8H)-one

(1S,2R,4S,6S,7R,8S,12R,14R)-8-[(tert-ブチルジメチルシリル)オキシ]-14,16-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[12.3.1.02,6.07,12]オクタデカ-16-エン-15-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： C33H48O7Si
Molecular formula furigana： C33-H48-O7-SI
Molecular weight： 584.825
InChI： InChI=1S/C33H48O7Si/c1-19-11-16-25(40-41(9,10)30(2,3)4)32(7)23(19)18-33(36)27(35)24(34)17-22(31(33,5)6)26-28(32)39-29(38-26)20-12-14-21(37-8)15-13-20/h12-15,17,22-23,25-26,28-29,34,36H,1,11,16,18H2,2-10H3/t22-,23-,25+,26-,28-,29+,32+,33+/m1/s1
InChI key： WIQXANQKXNJMFK-ITXMFRJRSA-N
SMILES： COc1ccc(cc1)[C@H]1O[C@H]2[C@@H](O1)[C@]1(C)[C@H](CCC(=C)[C@H]1C[C@]1(O)C(=O)C(=C[C@H]2C1(C)C)O)O[Si](C)(C)C(C)(C)C
Systematic name  (3)：
  • (4S,8R)-2β-(4-メトキシフェニル)-6,8-ジヒドロキシ-10-メチレン-13α-(tert-ブチルジメチルシリルオキシ)-13aα,14,14-トリメチル-3aβ,4,9,9aβ,10,11,12,13,13a,13bβ-デカヒドロ-4,8-メタノベンゾ[3,4]シクロデカ[1,2-d]-1,3-ジオキソール-7(8H)-オン
  • (1S,2R,4S,6S,7R,8S,12R,14R)-8-[(tert-ブチルジメチルシリル)オキシ]-14,16-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[12.3.1.02,6.07,12]オクタデカ-16-エン-15-オン
  • (1S,2R,4S,6S,7R,8S,12R,14R)-8-[(tert-butyldimethylsilyl)oxy]-14,16-dihydroxy-4-(4-methoxyphenyl)-7,18,18-trimethyl-11-methylidene-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-16-en-15-one
Other name (1)：
  • (4S,8R)-2β-(4-Methoxyphenyl)-6,8-dihydroxy-10-methylene-13α-(tert-butyldimethylsilyloxy)-13aα,14,14-trimethyl-3aβ,4,9,9aβ,10,11,12,13,13a,13bβ-decahydro-4,8-methanobenzo[3,4]cyclodeca[1,2-d]-1,3-dioxole-7(8H)-one
Thsaurus map：
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