Chem
J-GLOBAL ID:200907027547266248   Nikkaji number:J2.395.162B

3-(4-Hydroxycinnamoyloxy)-24-methylenecycloartane

3-(4-ヒドロキシシンナモイルオキシ)-24-メチレンシクロアルタン
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: C40H58O3
Molecular formula furigana: C40-H58-O3
Molecular weight: 586.901
InChI: InChI=1S/C40H58O3/c1-26(2)27(3)9-10-28(4)31-19-21-38(8)33-17-16-32-36(5,6)34(43-35(42)18-13-29-11-14-30(41)15-12-29)20-22-39(32)25-40(33,39)24-23-37(31,38)7/h11-15,18,26,28,31-34,41H,3,9-10,16-17,19-25H2,1-2,4-8H3/b18-13+/t28-,31-,32+,33+,34?,37-,38+,39-,40+/m1/s1
InChI key: NWCFXEYHLYCCTG-DEEXSVQBSA-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)CCC(OC(=O)/C=C/c1ccc(O)cc1)C4(C)C
Systematic name  (3):
  • 3-(4-ヒドロキシシンナモイルオキシ)-24-メチレンシクロアルタン
  • (1S,3R,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-(4-ヒドロキシフェニル)プロパ-2-エノアート
  • (1S,3R,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-(4-hydroxyphenyl)prop-2-enoate
Other name (1):
  • 3-(4-Hydroxycinnamoyloxy)-24-methylenecycloartane
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