Chem
J-GLOBAL ID:201307017852412022
Nikkaji number:J3.193.819H
5,4-[Oxy[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5,6-diyl]]-3,7-dihydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium
5,4-[オキシ[2-(3,4-ジヒドロキシフェニル)-3,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-5,6-ジイル]]-3,7-ジヒドロキシ-2-(3,4-ジヒドロキシフェニル)-1-ベンゾピリリウム
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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 H21 O10 [O+]
Molecular formula furigana:
C30-H21-O11
Molecular weight:
557.486
InChI:
InChI=1S/C30H20O11/c31-13-7-22-25-23(8-13)41-30-14-9-20(37)28(11-1-3-15(32)17(34)5-11)39-21(14)10-19(36)24(30)26(25)27(38)29(40-22)12-2-4-16(33)18(35)6-12/h1-8,10,20,28,37H,9H2,(H6-,31,32,33,34,35,36,38)/p+1
InChI key:
UBJNUCZHXRHIBO-UHFFFAOYSA-O
SMILES:
OC1Cc2c(OC1c1ccc(O)c(O)c1)cc(O)c1c2Oc2cc(O)cc3[o+]c(c4ccc(O)c(O)c4)c(O)c1c23
Systematic name (3):
5,4-[オキシ[2-(3,4-ジヒドロキシフェニル)-3,7-ジヒドロキシ-3,4-ジヒドロ-2H-1-ベンゾピラン-5,6-ジイル]]-3,7-ジヒドロキシ-2-(3,4-ジヒドロキシフェニル)-1-ベンゾピリリウム
7,19-ビス(3,4-ジヒドロキシフェニル)-3,8,15,20-テトラヒドロキシ-6,12,18λ4 -トリオキサペンタシクロ[11.7.1.02,11 .05,10 .017,21 ]ヘンイコサ-1(21),2,4,10,13,15,17,19-オクタエン-18-イリウム
7,19-bis(3,4-dihydroxyphenyl)-3,8,15,20-tetrahydroxy-6,12,18λ4 -trioxapentacyclo[11.7.1.02,11 .05,10 .017,21 ]henicosa-1(21),2,4,10,13,15,17,19-octaen-18-ylium
Other name (1):
5,4-[Oxy[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5,6-diyl]]-3,7-dihydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium
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