Chem
J-GLOBAL ID:200907042024243340
Nikkaji number:J1.830.241A
(2E,4S,5R,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,5S)-2α-butyl-2-[(1S,2E,4E)-1,6-dihydroxy-4-methyl-6-oxo-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)-1,6-ジヒドロキシ-4-メチル-6-オキソ-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
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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:
C32 H48 O8
Molecular formula furigana:
C32-H48-O8
Molecular weight:
560.728
InChI:
InChI=1S/C32H48O8/c1-6-7-17-31(28(34)14-10-23(3)21-30(37)38)19-20-32(40-31)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(35)36/h8-12,14-15,21,24-28,33-34H,6-7,13,16-20H2,1-5H3,(H,35,36)(H,37,38)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26+,27+,28-,31+,32-/m0/s1
InChI key:
NZGQKOHEVGNGEN-PWCUGCHASA-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](O)/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)-1,6-ジヒドロキシ-4-メチル-6-オキソ-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-ヒドロキシ-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-hydroxy-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)-1,6-dihydroxy-4-methyl-6-oxo-2,4-hexadienyl]-8β-methyl-1,6-dioxaspiro[4.5]decane-7α-yl]-2,6,8-decatrienoic acid
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