Chem
J-GLOBAL ID：201507041192436635   Nikkaji number：J3.361.601E

Bionectriol D

ビオネクトリオールD
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： C38H68O11
Molecular formula furigana： C38-H68-O11
Molecular weight： 700.951
InChI： InChI=1S/C38H68O11/c1-12-19(2)13-20(3)14-26(9)36(49-38-35(45)34(44)33(43)29(18-39)48-38)27(10)17-24(7)31(41)22(5)15-21(4)30(40)23(6)16-25(8)32(42)28(11)37(46)47/h15-17,19-20,22-23,26-36,38-45H,12-14,18H2,1-11H3,(H,46,47)/b21-15+,24-17+,25-16+/t19-,20-,22-,23-,26-,27-,28+,29+,30+,31-,32+,33+,34-,35-,36+,38-/m0/s1
InChI key： IXACCXKOOUBCOZ-SMYMJKOMSA-N
SMILES： CC[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)/C=C(\C)/[C@@H](O)[C@@H](C)C(=O)O
Systematic name  (3)：
  • (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-2,4,6,8,10,12,14,16,18,20-デカメチル-3,7,11-トリヒドロキシ-15-(β-D-マンノピラノシルオキシ)-4,8,12-ドコサトリエン酸
  • (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-3,7,11-トリヒドロキシ-2,4,6,8,10,12,14,16,18,20-デカメチル-15-{[(2R,3S,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}ドコサ-4,8,12-トリエン酸
  • (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-3,7,11-trihydroxy-2,4,6,8,10,12,14,16,18,20-decamethyl-15-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}docosa-4,8,12-trienoic acid
Other name (3)：
  • (2R,3S,4E,6S,7S,8E,10S,11S,12E,14S,15R,16S,18S,20S)-2,4,6,8,10,12,14,16,18,20-Decamethyl-3,7,11-trihydroxy-15-(β-D-mannopyranosyloxy)-4,8,12-docosatrienoic acid
  • ビオネクトリオールD
  • Bionectriol D
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