Chem
J-GLOBAL ID：200907088202673150   Nikkaji number：J38.608A

(20S)-Protopanaxadiol

(20S)-プロトパナキサジオール
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： C30H52O3
Molecular formula furigana： C30-H52-O3
Molecular weight： 460.743
InChI： InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,27-,28+,29+,30-/m0/s1
InChI key： PYXFVCFISTUSOO-HKUCOEKDSA-N
SMILES： CC(=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C)C
Systematic name  (5)：
  • (20S)-5α-ダンマラ-24-エン-3β,12β,20-トリオール
  • (20S)-ダンマラ-24-エン-3β,12β,20-トリオール
  • (3S,12R,20S)-5α-ダンマラ-24-エン-3,12,20-トリオール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2S)-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-7,11-ジオール
  • (1S,3aR,3bR,5aR,7S,9aR,9bR,11R,11aR)-1-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-7,11-diol
Other name (13)：
  • S-プロトパナキサジオール
  • 20S-プロトパナキサジオール
  • S-Protopanaxadiol
  • 20S-Protopanaxadiol
  • 20-エピプロトパナクサジオール
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