Chem
J-GLOBAL ID：202007017995162456
Nikkaji number：J3.745.540G
24-メチレンシクロアルタノールカフェ酸エステル
24-メチレンシクロアルタノールカフェ酸エステル
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
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
Molecular formula： C40H58O4
Molecular formula furigana： C40-H58-O4
Molecular weight： 602.900
InChI：
InChI=1S/C40H58O4/c1-25(2)26(3)9-10-27(4)29-17-19-38(8)33-15-14-32-36(5,6)34(18-20-39(32)24-40(33,39)22-21-37(29,38)7)44-35(43)16-12-28-11-13-30(41)31(42)23-28/h11-13,16,23,25,27,29,32-34,41-42H,3,9-10,14-15,17-22,24H2,1-2,4-8H3/b16-12+/t27-,29-,32+,33+,34+,37-,38+,39-,40+/m1/s1
InChI key：
XMJFAKGVOUGSHQ-HLXUUAHHSA-N
SMILES：
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](OC(=O)/C=C/c1cc(c(cc1)O)O)C4(C)C
Systematic name (2)：
- (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-テトラメチル-15-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]ペンタシクロ[9.7.0.01,3.03,8.012,16]オクタデカン-6-イル(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
- (1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- 24-メチレンシクロアルタノールカフェ酸エステル
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