Chem
J-GLOBAL ID:200907094390209627
Nikkaji number:J1.326.234I
Platycoside F
プラチコシドF
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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:
C47 H76 O20
Molecular formula furigana:
C47-H76-O20
Molecular weight:
961.105
InChI:
InChI=1S/C47H76O20/c1-20-29(54)32(57)34(59)38(63-20)65-36-30(55)24(52)17-62-40(36)67-41(61)47-12-11-42(2,3)13-22(47)21-7-8-26-43(4)14-23(51)37(66-39-35(60)33(58)31(56)25(16-48)64-39)46(18-49,19-50)27(43)9-10-44(26,5)45(21,6)15-28(47)53/h7,20,22-40,48-60H,8-19H2,1-6H3/t20-,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36+,37-,38-,39-,40-,43+,44+,45+,47+/m0/s1
InChI key:
QIMBOUOMXGXUQK-HQQCROKPSA-N
SMILES:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(CO)(CO)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O
Systematic name (3):
2β,16α,23,24-テトラヒドロキシ-3β-(β-D-グルコピラノシルオキシ)-5α-オレアナ-12-エン-28-酸2-O-α-L-ラムノピラノシル-α-L-アラビノピラノシル
(2S,3R,4S,5S)-4,5-ジヒドロキシ-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-ジヒドロキシ-9,9-ビス(ヒドロキシメチル)-2,2,6a,6b,12a-ペンタメチル-10-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボキシラート
(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl (4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
Other name (3):
2β,16α,23,24-Tetrahydroxy-3β-(β-D-glucopyranosyloxy)-5α-oleana-12-ene-28-oic acid 2-O-α-L-rhamnopyranosyl-α-L-arabinopyranosyl ester
プラチコシドF
Platycoside F
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