Chem
J-GLOBAL ID：200907068706599570   Nikkaji number：J1.878.773C

(3R,6aα,10bα)-3α-Vinyl-3,4aβ,7,7,10aβ,12,12-heptamethyl-10β-(thiobenzoyloxy)-5β,6β-(epoxymethanoxy)dodecahydro-1H-naphtho[2,1-b]pyran-1-one

(3R,6aα,10bα)-3α-ビニル-3,4aβ,7,7,10aβ,12,12-ヘプタメチル-10β-(チオベンゾイルオキシ)-5β,6β-(エポキシメタノキシ)ドデカヒドロ-1H-ナフト[2,1-b]ピラン-1-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： C30H40O5S
Molecular formula furigana： C30-H40-O5-S
Molecular weight： 512.710
InChI： InChI=1S/C30H40O5S/c1-9-28(6)17-19(31)22-29(7)20(32-25(36)18-13-11-10-12-14-18)15-16-26(2,3)23(29)21-24(30(22,8)35-28)34-27(4,5)33-21/h9-14,20-24H,1,15-17H2,2-8H3/t20-,21+,22-,23+,24+,28+,29-,30+/m1/s1
InChI key： VTFCGQLYHUNHEH-OLAGWVOCSA-N
SMILES： CC1(C)O[C@@H]2[C@H](O1)[C@@]1(C)O[C@](C)(CC(=O)[C@@H]1[C@@]1(C)[C@@H](CCC(C)(C)[C@H]21)OC(=S)c1ccccc1)C=C
Systematic name  (3)：
  • (3R,6aα,10bα)-3α-ビニル-3,4aβ,7,7,10aβ,12,12-ヘプタメチル-10β-(チオベンゾイルオキシ)-5β,6β-(エポキシメタノキシ)ドデカヒドロ-1H-ナフト[2,1-b]ピラン-1-オン
  • (1S,2S,6S,7S,9R,12R,13S,14R)-9-エテニル-4,4,7,9,13,17,17-ヘプタメチル-11-オキソ-3,5,8-トリオキサテトラシクロ[11.4.0.02,6.07,12]ヘプタデカン-14-イル ベンゼンカルボチオアート
  • (1S,2S,6S,7S,9R,12R,13S,14R)-9-ethenyl-4,4,7,9,13,17,17-heptamethyl-11-oxo-3,5,8-trioxatetracyclo[11.4.0.02,6.07,12]heptadecan-14-yl benzenecarbothioate
Other name (1)：
  • (3R,6aα,10bα)-3α-Vinyl-3,4aβ,7,7,10aβ,12,12-heptamethyl-10β-(thiobenzoyloxy)-5β,6β-(epoxymethanoxy)dodecahydro-1H-naphtho[2,1-b]pyran-1-one
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