Chem
J-GLOBAL ID:200907097623099753
Nikkaji number:J1.830.240C
(2E,4S,5S,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,3S,6S,8S,9R)-3-methyl-8-[(1E,3E)-3-methyl-5-oxo-5-hydroxy-1,3-pentadienyl]-9-butyl-9-hydroxy-1,7-dioxaspiro[5.5]undecane-2-yl]-2,6,8-decatrienoic acid
(2E,4S,5S,6E,8E)-10-[(2R,3S,6S,8S,9R)-9-ブチル-8-[(1E,3E)-4-カルボキシ-3-メチルブタ-1,3-ジエン-1-イル]-9-ヒドロキシ-3-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-5-ヒドロキシ-4,8-ジメチルデカ-2,6,8-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(38)19-20-32(40-28(31)14-10-23(3)21-30(36)37)18-16-25(5)27(39-32)13-9-22(2)8-12-26(33)24(4)11-15-29(34)35/h8-12,14-15,21,24-28,33,38H,6-7,13,16-20H2,1-5H3,(H,34,35)(H,36,37)/b12-8+,14-10+,15-11+,22-9+,23-21+/t24-,25-,26-,27+,28-,31+,32-/m0/s1
InChI key:
GXOXOJOXKDUEPS-VXTFCVHNSA-N
SMILES:
CCCC[C@@]1(O)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)O[C@H]1/C=C/C(=C/C(=O)O)/C
Systematic name (3):
(2E,4S,5S,6E,8E)-4,8-ジメチル-5-ヒドロキシ-10-[(2R,3S,6S,8S,9R)-3-メチル-8-[(1E,3E)-3-メチル-5-オキソ-5-ヒドロキシ-1,3-ペンタジエニル]-9-ブチル-9-ヒドロキシ-1,7-ジオキサスピロ[5.5]ウンデカン-2-イル]-2,6,8-デカトリエン酸
(2E,4S,5S,6E,8E)-10-[(2R,3S,6S,8S,9R)-9-ブチル-8-[(1E,3E)-4-カルボキシ-3-メチルブタ-1,3-ジエン-1-イル]-9-ヒドロキシ-3-メチル-1,7-ジオキサスピロ[5.5]ウンデカン-2-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,5S,6E,8E)-10-[(2R,3S,6S,8S,9R)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-9-hydroxy-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Other name (1):
(2E,4S,5S,6E,8E)-4,8-Dimethyl-5-hydroxy-10-[(2R,3S,6S,8S,9R)-3-methyl-8-[(1E,3E)-3-methyl-5-oxo-5-hydroxy-1,3-pentadienyl]-9-butyl-9-hydroxy-1,7-dioxaspiro[5.5]undecane-2-yl]-2,6,8-decatrienoic acid
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