Chem
J-GLOBAL ID：200907050942218580   Nikkaji number：J2.737.616I

Biselyngbyaside

ビセリングビアシド
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： C34H52O9
Molecular formula furigana： C34-H52-O9
Molecular weight： 604.781
InChI： InChI=1S/C34H52O9/c1-7-8-14-24(3)20-26-16-12-10-9-11-15-23(2)19-25(4)28(39-5)18-13-17-27(21-30(36)41-26)42-34-32(38)33(40-6)31(37)29(22-35)43-34/h7-13,17,19-20,23,26-29,31-35,37-38H,14-16,18,21-22H2,1-6H3/b8-7+,11-9+,12-10+,17-13+,24-20-,25-19+/t23-,26+,27?,28-,29+,31+,32+,33-,34+/m0/s1
InChI key： QLNOFWPLTFNJPW-BJTQIIBHSA-N
SMILES： CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC2CC(=O)O[C@H](C/C=C/C=C/C[C@H](C)/C=C(\C)/[C@H](C/C=C/2)OC)/C=C(/C)\C/C=C/C)[C@@H]1O
Systematic name  (3)：
  • (3S,4E,7S,8E,10S,12E,14E,17R,18Z,21E)-3-[(3-O-メチル-β-D-グルコピラノシル)オキシ]-7-メトキシ-8,10,19-トリメチル-17-ヒドロキシ-4,8,12,14,18,21-トリコサヘキサエン酸1,17-ラクトン
  • (4S,5E,8S,9E,11S,13E,15E,18R)-4-{[(2R,3R,4S,5R,6R)-3,5-ジヒドロキシ-6-(ヒドロキシメチル)-4-メトキシオキサン-2-イル]オキシ}-8-メトキシ-9,11-ジメチル-18-[(1Z,4E)-2-メチルヘキサ-1,4-ジエン-1-イル]-1-オキサシクロオクタデカ-5,9,13,15-テトラエン-2-オン
  • (4S,5E,8S,9E,11S,13E,15E,18R)-4-{[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-8-methoxy-9,11-dimethyl-18-[(1Z,4E)-2-methylhexa-1,4-dien-1-yl]-1-oxacyclooctadeca-5,9,13,15-tetraen-2-one
Other name (3)：
  • (3S,4E,7S,8E,10S,12E,14E,17R,18Z,21E)-3-[(3-O-Methyl-β-D-glucopyranosyl)oxy]-7-methoxy-8,10,19-trimethyl-17-hydroxy-4,8,12,14,18,21-tricosahexaenoic acid 1,17-lactone
  • ビセリングビアシド
  • Biselyngbyaside
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