Chem
J-GLOBAL ID：200907056655361087   Nikkaji number：J38.837H

(20S)-Protopanaxatriol

(20S)-プロトパナキサトリオール
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： C30H52O4
Molecular formula furigana： C30-H52-O4
Molecular weight： 476.742
InChI： InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChI key： SHCBCKBYTHZQGZ-CJPZEJHVSA-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]3[C@@H](O)C[C@@]21C)C
Systematic name  (5)：
  • (20S)-5α-ダンマラ-24-エン-3β,6α,12β,20-テトラオール
  • 5α-ダンマラ-24-エン-3β,6α,12β,20-テトラオール
  • 5α-ダンマラン-24-エン-3β,6α,12β,20-テトラオール
  • (1S,3aR,3bR,5S,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-5,7,11-トリオール
  • (1S,3aR,3bR,5S,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-5,7,11-triol
Other name (7)：
  • S-プロトパナキサトリオール
  • S-Protopanaxatriol
  • (20S)-5α-Dammar-24-ene-3β,6α,12β,20-tetrol
  • (20S)-プロトパナキサトリオール
  • (20S)-Protopanaxatriol
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CAS registry number： 34080-08-5
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