Chem
J-GLOBAL ID:200907077486901350
Nikkaji number:J1.119.317J
OH-Chlorobactene glucoside
OH-クロロバクテングルコシド
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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:
C46 H64 O6
Molecular formula furigana:
C46-H64-O6
Molecular weight:
713.012
InChI:
InChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43+,44-,45+/m1/s1
InChI key:
GYOAOIUWKMSJGW-SAGFKILGSA-N
SMILES:
C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)ccc(C)c1C)\C)\C)/CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name (5):
1′,2′-ジヒドロ-1′-(β-D-グルコピラノシルオキシ)-φ,ψ-カロテン
1′,2′-ジヒドロ-1′-(β-D-グルコピラノシルオキシ)φ,ψ-カロテン
[(5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-24-(2,3,6-トリメチルフェニル)-1,1,5,9,13,18,22-ヘプタメチル-5,7,9,11,13,15,17,19,21,23-テトラコサデカエニル]β-D-グルコピラノシド
(2S,3R,4S,5S,6R)-2-{[(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-ヘキサメチル-25-(2,3,6-トリメチルフェニル)ペンタコサ-6,8,10,12,14,16,18,20,22,24-デカエン-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
(2S,3R,4S,5S,6R)-2-{[(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-25-(2,3,6-trimethylphenyl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (9):
1′,2′-Dihydro-1′-(β-D-glucopyranosyloxy)-φ,ψ-carotene
ヒドロキシクロロバクテングルコシド
Hydroxychlorobactene glucoside
1′,2′-Dihydro-1′-(β-D-glucopyranosyloxy)φ,ψ-carotene
1′,2′-ジヒドロ-1′-(β-D-グルコピラノシルオキシ)クロロバクテン
1′,2′-Dihydro-1′-(β-D-glucopyranosyloxy)chlorobactene
[(5E,7E,9E,11E,13E,15E,17E,19E,21E,23E)-24-(2,3,6-Trimethylphenyl)-1,1,5,9,13,18,22-heptamethyl-5,7,9,11,13,15,17,19,21,23-tetracosadecaenyl]β-D-glucopyranoside
OH-クロロバクテングルコシド
OH-Chlorobactene glucoside
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