Chem
J-GLOBAL ID：201007092098157010   Nikkaji number：J2.814.842I

Carolactone

カロラクトン
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： C25H40O8
Molecular formula furigana： C25-H40-O8
Molecular weight： 468.587
InChI： InChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1
InChI key： WCKOGWVWLFJJJX-ZCXGUVEESA-N
SMILES： CO[C@H](CC(=O)O)[C@@H](C)C(=O)[C@H](C)/C=C(\C)/[C@H]1OC(=O)[C@H](O)[C@H](O)/C=C/[C@H](C)CCC[C@@H]1C
Systematic name  (3)：
  • (2R,3R,4E,6R,10S,11S,12E,14R,16R,17R)-2,3,11-トリヒドロキシ-6,10,12,14,16-ペンタメチル-15-オキソ-17-メトキシ-4,12-ノナデカジエン二酸1,11-ラクトン
  • (3R,4R,6R,7E)-8-[(2S,3S,7R,8E,10R,11R)-10,11-ジヒドロキシ-3,7-ジメチル-12-オキソ-1-オキサシクロドデカ-8-エン-2-イル]-3-メトキシ-4,6-ジメチル-5-オキソノナ-7-エン酸
  • (3R,4R,6R,7E)-8-[(2S,3S,7R,8E,10R,11R)-10,11-dihydroxy-3,7-dimethyl-12-oxo-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxonon-7-enoic acid
Other name (3)：
  • (2R,3R,4E,6R,10S,11S,12E,14R,16R,17R)-2,3,11-Trihydroxy-6,10,12,14,16-pentamethyl-15-oxo-17-methoxy-4,12-nonadecadienedioic acid 1,11-lactone
  • カロラクトン
  • Carolactone
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