Chem
J-GLOBAL ID：200907063710944824   Nikkaji number：J2.603.356J

Pittosporumxanthin B1

ピットスポルムキサンチンB1
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： C69H104O5
Molecular formula furigana： C69-H104-O5
Molecular weight： 1013.586
InChI： InChI=1S/C69H104O5/c1-46(2)24-20-26-48(4)28-21-29-49(5)31-23-37-67(16)38-36-59-60-42-56(40-51(7)35-39-69-66(14,15)44-58(71)45-68(69,17)74-69)62(72-63(60)54(10)55(11)64(59)73-67)52(8)32-19-18-25-47(3)27-22-30-50(6)33-34-61-53(9)41-57(70)43-65(61,12)13/h18-19,22,25,27,30,32-35,39-40,46,48-49,56-58,62,70-71H,20-21,23-24,26,28-29,31,36-38,41-45H2,1-17H3/b19-18+,27-22+,34-33+,39-35+,47-25+,50-30+,51-40-,52-32+/t48-,49-,56+,57-,58+,62-,67-,68-,69+/m1/s1
InChI key： QTZBDYXGGHNDAL-GDBPAQQZSA-N
SMILES： CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c3C[C@H](/C=C(/C)\C=C\[C@@]45O[C@]4(C)C[C@@H](O)CC5(C)C)[C@H](Oc3c(C)c(C)c2O1)/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)/C
Systematic name  (3)：
  • (1R)-4-[(1E,3E,5E,7E,9E,11E)-3,7-ジメチル-12-[(2R,3S,8R)-2-[(1Z,3E)-2-メチル-4-[(1S,4S,6R)-2,2,6-トリメチル-4-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-1,3-ブタジエニル]-8-[(4R,8R)-4,8,12-トリメチルトリデシル]-5,6,8-トリメチル-1,2,3,8,9,10-ヘキサヒドロベンゾ[1,2-b:4,3-b′]ジピラン-3-イル]-1,3,5,7,9,11-トリデカヘキサエニル]-3,5,5-トリメチル-3-シクロヘキセン-1-オール
  • (1R,3S,6S)-6-[(1E,3Z)-4-[(4R,5S,12R)-5-[(2E,4E,6E,8E,10E,12E)-13-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-7,11-ジメチルトリデカ-2,4,6,8,10,12-ヘキサエン-2-イル]-8,9,12-トリメチル-12-[(4R,8R)-4,8,12-トリメチルトリデシル]-6,11-ジオキサトリシクロ[8.4.0.02,7]テトラデカ-1,7,9-トリエン-4-イル]-3-メチルブタ-1,3-ジエン-1-イル]-1,5,5-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-3-オール
  • (1R,3S,6S)-6-[(1E,3Z)-4-[(4R,5S,12R)-5-[(2E,4E,6E,8E,10E,12E)-13-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-7,11-dimethyltrideca-2,4,6,8,10,12-hexaen-2-yl]-8,9,12-trimethyl-12-[(4R,8R)-4,8,12-trimethyltridecyl]-6,11-dioxatricyclo[8.4.0.02,7]tetradeca-1,7,9-trien-4-yl]-3-methylbuta-1,3-dien-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
Other name (3)：
  • (1R)-4-[(1E,3E,5E,7E,9E,11E)-3,7-Dimethyl-12-[(2R,3S,8R)-2-[(1Z,3E)-2-methyl-4-[(1S,4S,6R)-2,2,6-trimethyl-4-hydroxy-7-oxabicyclo[4.1.0]heptane-1-yl]-1,3-butadienyl]-8-[(4R,8R)-4,8,12-trimethyltridecyl]-5,6,8-trimethyl-1,2,3,8,9,10-hexahydrobenzo[1,2-b:4,3-b′]dipyran-3-yl]-1,3,5,7,9,11-tridecahexaenyl]-3,5,5-trimethyl-3-cyclohexene-1-ol
  • ピットスポルムキサンチンB1
  • Pittosporumxanthin B1
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