Chem
J-GLOBAL ID:200907086223483595
Nikkaji number:J1.879.494B
(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-Butyldiphenylsiloxy)-18,21-bis(benzyloxy)-19-methyl-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane-3-one
(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-ブチルジフェニルシロキシ)-18,21-ビス(ベンジルオキシ)-19-メチル-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン-3-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:
C52 H64 O9 Si
Molecular formula furigana:
C52-H64-O9-SI
Molecular weight:
861.160
InChI:
InChI=1S/C52H64O9Si/c1-51(2,3)62(38-21-13-7-14-22-38,39-23-15-8-16-24-39)56-35-49-40(53)25-26-41-42(60-49)29-44-43(57-41)30-45-46(58-44)31-48-47(59-45)32-50(55-34-37-19-11-6-12-20-37)52(4,61-48)27-28-54-33-36-17-9-5-10-18-36/h5-24,41-50H,25-35H2,1-4H3/t41-,42+,43+,44-,45-,46+,47+,48-,49-,50-,52+/m0/s1
InChI key:
QVQJSBKVGBCRHO-ZESAMVDESA-N
SMILES:
CC(C)(C)[Si](OC[C@@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@](C)(CCOCc6ccccc6)[C@H](C[C@H]5O[C@H]4C[C@H]3O[C@H]2CCC1=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
Systematic name (3):
(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-ブチルジフェニルシロキシ)-18,21-ビス(ベンジルオキシ)-19-メチル-2,7:6,10:9,13:12,16:15,19-ペンタエポキシヘニコサン-3-オン
(1S,3R,5S,7R,8S,10R,12S,14R,16S,20S,22R)-8-(ベンジルオキシ)-7-[2-(ベンジルオキシ)エチル]-20-{[(tert-ブチルジフェニルシリル)オキシ]メチル}-7-メチル-2,6,11,15,21-ペンタオキサペンタシクロ[12.9.0.03,12 .05,10 .016,22 ]トリコサン-19-オン
(1S,3R,5S,7R,8S,10R,12S,14R,16S,20S,22R)-8-(benzyloxy)-7-[2-(benzyloxy)ethyl]-20-{[(tert-butyldiphenylsilyl)oxy]methyl}-7-methyl-2,6,11,15,21-pentaoxapentacyclo[12.9.0.03,12 .05,10 .016,22 ]tricosan-19-one
Other name (1):
(2S,6S,7R,9S,10R,12S,13R,15S,16R,18S,19R)-1-(tert-Butyldiphenylsiloxy)-18,21-bis(benzyloxy)-19-methyl-2,7:6,10:9,13:12,16:15,19-pentaepoxyhenicosane-3-one
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