Chem
J-GLOBAL ID:200907070462968661
Nikkaji number:J10.854E
Cascaroside A
カスカロシドA
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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:
C27 H32 O14
Molecular formula furigana:
C27-H32-O14
Molecular weight:
580.539
InChI:
InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16?,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChI key:
MNAYRSRTNMVAPR-JTPSZFOFSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2cccc3C([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c4cc(CO)cc(O)c4C(=O)c23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (4):
10-β-D-グルコピラノシル-8-(β-D-グルコピラノシルオキシ)-1-ヒドロキシ-3-(ヒドロキシメチル)アントラセン-9(10H)-オン
10-β-D-グルコピラノシル-8-(β-D-グルコピラノシルオキシ)-1-ヒドロキシ-3-(ヒドロキシメチル)-9(10H)-アントラセノン
1-ヒドロキシ-3-(ヒドロキシメチル)-10-[(2S,3R,4R,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]-8-{[(2S,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}-9,10-ジヒドロアントラセン-9-オン
1-hydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one
Other name (6):
CAS registry number:
53823-08-8
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