Chem
J-GLOBAL ID：200907024624790819   Nikkaji number：J716.638I

Myriceric acid C

ミリセリン酸C
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： C48H60O10
Molecular formula furigana： C48-H60-O10
Molecular weight： 796.998
InChI： InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1
InChI key： OQOHHYHCCUJBHE-VFQKEBRISA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(COC(=O)C=Cc4ccc(O)c(O)c4)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C=Cc6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (3)：
  • 3β,27-ビス[3-(3,4-ジヒドロキシフェニル)プロペノイルオキシ]オレアナ-12-エン-28-酸
  • (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-6a-({[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}メチル)-2,2,6b,9,9,12a-ヘキサメチル-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-イコサヒドロピセン-4a-カルボン酸
  • (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-6a-({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-2,2,6b,9,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
Other name (3)：
  • ミリセリン酸C
  • Myriceric acid C
  • 3β,27-Bis[3-(3,4-dihydroxyphenyl)propenoyloxy]olean-12-en-28-oic acid
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