Chem
J-GLOBAL ID:200907005609910560
Nikkaji number:J82.300G
Limonoate D-ring-lactone
リモン酸D-環ラクトン
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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:
C26 H32 O9
Molecular formula furigana:
C26-H32-O9
Molecular weight:
488.533
InChI:
InChI=1S/C26H32O9/c1-22(2)15-9-16(28)24(4)14(25(15,12-27)17(34-22)10-18(29)30)5-7-23(3)19(13-6-8-32-11-13)33-21(31)20-26(23,24)35-20/h6,8,11,14-15,17,19-20,27H,5,7,9-10,12H2,1-4H3,(H,29,30)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChI key:
HFNBWQLGRFZSQW-MSGMIQHVSA-N
SMILES:
CC1(C)O[C@@H](CC(=O)O)[C@@]2(CO)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1
Systematic name (3):
リモン酸16,17-ラクトン
2-[(1R,2R,4S,7S,8S,11R,12R,13S,16R)-7-(フラン-3-イル)-12-(ヒドロキシメチル)-1,8,15,15-テトラメチル-5,18-ジオキソ-3,6,14-トリオキサペンタシクロ[9.7.0.02,4 .02,8 .012,16 ]オクタデカン-13-イル]酢酸
2-[(1R,2R,4S,7S,8S,11R,12R,13S,16R)-7-(furan-3-yl)-12-(hydroxymethyl)-1,8,15,15-tetramethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.02,4 .02,8 .012,16 ]octadecan-13-yl]acetic acid
Other name (4):
リモン酸D-環ラクトン
Limonoic acid D-ring lactone
Limonoic acid 16,17-lactone
Limonoate D-ring-lactone
CAS registry number:
22149-50-4
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