Chem
J-GLOBAL ID:200907092940722030
Nikkaji number:J2.045.463F
2′,2′′,2′′′′,2′′′′′,3′,3′′′,3′′′′-Heptamethoxy-3,3′′′′′-diacetoxy-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexinaphthalene-2′′′,3′′-diol
2′,2′′,2′′′′,2′′′′′,3′,3′′′,3′′′′-ヘプタメトキシ-3,3′′′′′-ジアセトキシ-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシナフタレン-2′′′,3′′-ジオール
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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:
C71 H56 O13
Molecular formula furigana:
C71-H56-O13
Molecular weight:
1117.216
InChI:
InChI=1S/C71H56O13/c1-37(72)83-41-34-39-22-10-12-24-42(39)52(36-41)54-44-26-14-17-29-47(44)61(69(80-7)68(54)79-6)58-48-30-18-15-27-45(48)55(63(74)66(58)77-4)56-46-28-16-19-31-49(46)59(67(78-5)64(56)75)62-51-33-21-20-32-50(51)60(70(81-8)71(62)82-9)57-43-25-13-11-23-40(43)35-53(65(57)76-3)84-38(2)73/h10-36,74-75H,1-9H3
InChI key:
LIZJKUYSGZEMNK-UHFFFAOYSA-N
SMILES:
COc1c(O)c(c2c(O)c(OC)c(c3c(OC)c(OC)c(c4c(OC)c(OC(=O)C)cc5ccccc45)c4ccccc34)c3ccccc23)c2ccccc2c1c1c(OC)c(OC)c(c2cc(OC(=O)C)cc3ccccc23)c2ccccc12
Systematic name (3):
2′,2′′,2′′′′,2′′′′′,3′,3′′′,3′′′′-ヘプタメトキシ-3,3′′′′′-ジアセトキシ-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-セキシナフタレン-2′′′,3′′-ジオール
4'-{4'-[3'-(アセチルオキシ)-2,3-ジメトキシ-[1,1'-ビナフタレン]-4-イル]-2,2'-ジヒドロキシ-3,3'-ジメトキシ-[1,1'-ビナフタレン]-4-イル}-2,2',3'-トリメトキシ-[1,1'-ビナフタレン]-3-イル アセタート
4'-{4'-[3'-(acetyloxy)-2,3-dimethoxy-[1,1'-binaphthalen]-4-yl]-2,2'-dihydroxy-3,3'-dimethoxy-[1,1'-binaphthalen]-4-yl}-2,2',3'-trimethoxy-[1,1'-binaphthalen]-3-yl acetate
Other name (1):
2′,2′′,2′′′′,2′′′′′,3′,3′′′,3′′′′-Heptamethoxy-3,3′′′′′-diacetoxy-1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-sexinaphthalene-2′′′,3′′-diol
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