Chem
J-GLOBAL ID:200907099742997762
Nikkaji number:J1.961.744K
(αS,1R,3aβ,7aβ,9S)-α-[3-(Methoxymethoxy)-4-methoxyphenyl]-5β,6β-(isopropylidenebisoxy)-7α-(tert-butyldimethylsiloxy)-9-hydroxy-4α,3α-(epoxymethano)hydrindane-1α-methanol
(αS,1R,3aβ,7aβ,9S)-α-[3-(メトキシメトキシ)-4-メトキシフェニル]-5β,6β-(イソプロピリデンビスオキシ)-7α-(tert-ブチルジメチルシロキシ)-9-ヒドロキシ-4α,3α-(エポキシメタノ)ヒドリンダン-1α-メタノール
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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:
C29 H46 O9 Si
Molecular formula furigana:
C29-H46-O9-SI
Molecular weight:
566.763
InChI:
InChI=1S/C29H46O9Si/c1-28(2,3)39(8,9)38-24-20-16(22(30)15-10-11-18(33-7)19(12-15)34-14-32-6)13-17-21(20)23(35-27(17)31)25-26(24)37-29(4,5)36-25/h10-12,16-17,20-27,30-31H,13-14H2,1-9H3/t16-,17+,20-,21+,22-,23+,24-,25-,26+,27+/m1/s1
InChI key:
AESPYHPUKIDPCI-WJQYWGGDSA-N
SMILES:
COCOc1cc(ccc1OC)[C@@H](O)[C@@H]1C[C@@H]2[C@@H](O)O[C@@H]3[C@H]4OC(C)(C)O[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@H]23
Systematic name (3):
(αS,1R,3aβ,7aβ,9S)-α-[3-(メトキシメトキシ)-4-メトキシフェニル]-5β,6β-(イソプロピリデンビスオキシ)-7α-(tert-ブチルジメチルシロキシ)-9-ヒドロキシ-4α,3α-(エポキシメタノ)ヒドリンダン-1α-メタノール
(1S,2R,6R,7R,8R,9R,11S,12S,14R)-7-[(tert-ブチルジメチルシリル)オキシ]-9-[(S)-ヒドロキシ[4-メトキシ-3-(メトキシメトキシ)フェニル]メチル]-4,4-ジメチル-3,5,13-トリオキサテトラシクロ[6.5.1.02,6 .011,14 ]テトラデカン-12-オール
(1S,2R,6R,7R,8R,9R,11S,12S,14R)-7-[(tert-butyldimethylsilyl)oxy]-9-[(S)-hydroxy[4-methoxy-3-(methoxymethoxy)phenyl]methyl]-4,4-dimethyl-3,5,13-trioxatetracyclo[6.5.1.02,6 .011,14 ]tetradecan-12-ol
Other name (1):
(αS,1R,3aβ,7aβ,9S)-α-[3-(Methoxymethoxy)-4-methoxyphenyl]-5β,6β-(isopropylidenebisoxy)-7α-(tert-butyldimethylsiloxy)-9-hydroxy-4α,3α-(epoxymethano)hydrindane-1α-methanol
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