Chem
J-GLOBAL ID:200907034273757319   Nikkaji number:J1.830.239J

(2E,4S,5R,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,5S)-2α-butyl-2-[(1S,2E,4E)-1-methoxy-4-methyl-6-oxo-6-hydroxy-2,4-hexadienyl]-8β-methyl-1,6-dioxaspiro[4.5]decane-7α-yl]-2,6,8-decatrienoic acid

(2E,4S,5R,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,5S)-2α-ブチル-2-[(1S,2E,4E)-1-メトキシ-4-メチル-6-オキソ-6-ヒドロキシ-2,4-ヘキサジエニル]-8β-メチル-1,6-ジオキサスピロ[4.5]デカン-7α-イル]-2,6,8-デカトリエン酸
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: C33H50O8
Molecular formula furigana: C33-H50-O8
Molecular weight: 574.755
InChI: InChI=1S/C33H50O8/c1-7-8-18-32(29(39-6)15-11-24(3)22-31(37)38)20-21-33(41-32)19-17-26(5)28(40-33)14-10-23(2)9-13-27(34)25(4)12-16-30(35)36/h9-13,15-16,22,25-29,34H,7-8,14,17-21H2,1-6H3,(H,35,36)(H,37,38)/b13-9+,15-11+,16-12+,23-10+,24-22+/t25-,26-,27+,28+,29-,32+,33-/m0/s1
InChI key: OOESZHXPFLMAOA-HJNOCILFSA-N
SMILES: CCCC[C@@]1(CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)/C=C/[C@@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1)[C@@H](OC)/C=C/C(=C/C(=O)O)/C
Systematic name  (3):
  • (2E,4S,5R,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,5S)-2α-ブチル-2-[(1S,2E,4E)-1-メトキシ-4-メチル-6-オキソ-6-ヒドロキシ-2,4-ヘキサジエニル]-8β-メチル-1,6-ジオキサスピロ[4.5]デカン-7α-イル]-2,6,8-デカトリエン酸
  • (2E,4S,5R,6E,8E)-10-[(2R,5S,7R,8S)-2-ブチル-2-[(1S,2E,4E)-5-カルボキシ-1-メトキシ-4-メチルペンタ-2,4-ジエン-1-イル]-8-メチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]-5-ヒドロキシ-4,8-ジメチルデカ-2,6,8-トリエン酸
  • (2E,4S,5R,6E,8E)-10-[(2R,5S,7R,8S)-2-butyl-2-[(1S,2E,4E)-5-carboxy-1-methoxy-4-methylpenta-2,4-dien-1-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-7-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Other name (1):
  • (2E,4S,5R,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,5S)-2α-butyl-2-[(1S,2E,4E)-1-methoxy-4-methyl-6-oxo-6-hydroxy-2,4-hexadienyl]-8β-methyl-1,6-dioxaspiro[4.5]decane-7α-yl]-2,6,8-decatrienoic acid
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