Chem
J-GLOBAL ID：200907027393749585   Nikkaji number：J688.371K

Myricerol

ミリセロール
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： C30H48O4
Molecular formula furigana： C30-H48-O4
Molecular weight： 472.710
InChI： InChI=1S/C30H48O4/c1-25(2)13-14-29(24(33)34)15-16-30(18-31)19(20(29)17-25)7-8-22-27(5)11-10-23(32)26(3,4)21(27)9-12-28(22,30)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,27-,28+,29-,30-/m0/s1
InChI key： ADBMMSFXIFGNAX-MDAIVZGXSA-N
SMILES： CC1(C)CC[C@@]2(CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
Systematic name  (4)：
  • 3β,27-ジヒドロキシオレアナ-12-エン-28-酸
  • 3β,27-ジヒドロキシオレアナン-12-エン-28-酸
  • (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-ヒドロキシ-6a-(ヒドロキシメチル)-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-hydroxy-6a-(hydroxymethyl)-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 (4)：
  • 3β,27-Dihydroxyolean-12-en-28-oic acid
  • 3β,27-Dihydroxyoleanane-12-ene-28-oic acid
  • ミリセロール
  • Myricerol
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