Chem
J-GLOBAL ID:200907077094823687
Nikkaji number:J1.858.681I
1α-(Methoxymethyl)-4-(methoxymethylene)-11α-(tert-butyldimethylsiloxy)-6α-hydroxy-17,17-[ethylenebis(oxy)]-2-oxa-5α-androsta-8-ene-3,7-dione
1α-(メトキシメチル)-4-(メトキシメチレン)-11α-(tert-ブチルジメチルシロキシ)-6α-ヒドロキシ-17,17-[エチレンビス(オキシ)]-2-オキサ-5α-アンドロスタ-8-エン-3,7-ジオン
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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:
C30 H46 O9 Si
Molecular formula furigana:
C30-H46-O9-SI
Molecular weight:
578.774
InChI:
InChI=1S/C30H46O9Si/c1-27(2,3)40(8,9)39-19-14-28(4)18(10-11-30(28)36-12-13-37-30)21-23(19)29(5)20(16-35-7)38-26(33)17(15-34-6)22(29)25(32)24(21)31/h15,18-20,22,25,32H,10-14,16H2,1-9H3/t18-,19+,20+,22+,25+,28-,29-/m0/s1
InChI key:
ZFBOCTHEBZXESL-JDCXCPCGSA-N
SMILES:
COC[C@H]1OC(=O)C(=COC)[C@@H]2[C@@H](O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC34OCCO3)O[Si](C)(C)C(C)(C)C)[C@@]12C
Systematic name (3):
1α-(メトキシメチル)-4-(メトキシメチレン)-11α-(tert-ブチルジメチルシロキシ)-6α-ヒドロキシ-17,17-[エチレンビス(オキシ)]-2-オキサ-5α-アンドロスタ-8-エン-3,7-ジオン
(2'S,3'S,7'R,8'R,11'R,15'S,17'R)-17'-[(tert-ブチルジメチルシリル)オキシ]-8'-ヒドロキシ-3'-(メトキシメチル)-6'-(メトキシメチリデン)-2',15'-ジメチル-4'-オキサスピロ[1,3-ジオキソラン-2,14'-テトラシクロ[8.7.0.02,7 .011,15 ]ヘプタデカン]-1'(10')-エン-5',9'-ジオン
(2'S,3'S,7'R,8'R,11'R,15'S,17'R)-17'-[(tert-butyldimethylsilyl)oxy]-8'-hydroxy-3'-(methoxymethyl)-6'-(methoxymethylidene)-2',15'-dimethyl-4'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[8.7.0.02,7 .011,15 ]heptadecan]-1'(10')-ene-5',9'-dione
Other name (1):
1α-(Methoxymethyl)-4-(methoxymethylene)-11α-(tert-butyldimethylsiloxy)-6α-hydroxy-17,17-[ethylenebis(oxy)]-2-oxa-5α-androsta-8-ene-3,7-dione
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