Chem
J-GLOBAL ID：200907019199919884   Nikkaji number：J20.307F

Dammarenediol I

ダンマレンジオールI
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： C30H52O2
Molecular formula furigana： C30-H52-O2
Molecular weight： 444.744
InChI： InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30-/m1/s1
InChI key： NLHQJXWYMZLQJY-AYHBXSNGSA-N
SMILES： CC(=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name  (4)：
  • (20R)-ダンマラ-24-エン-3β,20-ジオール
  • (20R)-5α-ダンマラ-24-エン-3β,20-ジオール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(2R)-2-ヒドロキシ-6-メチルヘプタ-5-エン-2-イル]-3a,3b,6,6,9a-ペンタメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-ol
Other name (4)：
  • ダンマレンジオールI
  • Dammarenediol I
  • (20R)-5α-Dammar-24-ene-3β,20-diol
  • (20R)-Dammar-24-ene-3β,20-diol
CAS registry number： 14351-28-1
KEGG COMPOUND： C08621
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