Chem
J-GLOBAL ID：200907027857349488
Nikkaji number：J854.185J
(1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-5,7-Bis(methoxymethoxy)-8a-[[(4-methoxybenzoyl)oxy]methyl]tetradecahydrophenanthrene-1,2,4,8-tetrol 1,4-diacetate 2,8-bis(4-methoxybenzoate)
(1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-5,7-ビス(メトキシメトキシ)-8a-[[(4-メトキシベンゾイル)オキシ]メチル]テトラデカヒドロフェナントレン-1,2,4,8-テトラオール1,4-ジアセタート2,8-ビス(4-メトキシベンゾアート)
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
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
Molecular formula： C47H56O17
Molecular formula furigana： C47-H56-O17
Molecular weight： 892.948
InChI：
InChI=1S/C47H56O17/c1-27(48)61-36-22-38(63-45(51)30-10-16-33(56-6)17-11-30)42(62-28(2)49)35-20-21-47(24-58-44(50)29-8-14-32(55-5)15-9-29)41(40(35)36)37(59-25-53-3)23-39(60-26-54-4)43(47)64-46(52)31-12-18-34(57-7)19-13-31/h8-19,35-43H,20-26H2,1-7H3/t35-,36-,37-,38-,39-,40+,41+,42+,43-,47+/m1/s1
InChI key：
RVGGEUOTXAQXRW-WDIMLIPPSA-N
SMILES：
COCO[C@@H]1C[C@@H](OCOC)[C@H]2[C@@H]3[C@@H](C[C@@H](OC(=O)c4ccc(OC)cc4)[C@@H](OC(=O)C)[C@@H]3CC[C@@]2(COC(=O)c2ccc(OC)cc2)[C@@H]1OC(=O)c1ccc(OC)cc1)OC(=O)C
Systematic name (3)：
- (1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-5,7-ビス(メトキシメトキシ)-8a-[[(4-メトキシベンゾイル)オキシ]メチル]テトラデカヒドロフェナントレン-1,2,4,8-テトラオール1,4-ジアセタート2,8-ビス(4-メトキシベンゾアート)
- (1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-1,4-ビス(アセチルオキシ)-8-(4-メトキシベンゾイルオキシ)-8a-[(4-メトキシベンゾイルオキシ)メチル]-5,7-ビス(メトキシメトキシ)-テトラデカヒドロフェナントレン-2-イル 4-メトキシベンゾアート
- (1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-1,4-bis(acetyloxy)-8-(4-methoxybenzoyloxy)-8a-[(4-methoxybenzoyloxy)methyl]-5,7-bis(methoxymethoxy)-tetradecahydrophenanthren-2-yl 4-methoxybenzoate
- (1S,2R,4R,4aR,4bS,5R,7R,8S,8aR,10aR)-5,7-Bis(methoxymethoxy)-8a-[[(4-methoxybenzoyl)oxy]methyl]tetradecahydrophenanthrene-1,2,4,8-tetrol 1,4-diacetate 2,8-bis(4-methoxybenzoate)
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