Chem
J-GLOBAL ID：201007055708383902   Nikkaji number：J2.801.201B

Balsaminapentaol A

バルサミナペンタオールA
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： C30H50O5
Molecular formula furigana： C30-H50-O5
Molecular weight： 490.725
InChI： InChI=1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7)26-23(33)15-21-20(8-9-24(34)28(21,5)16-31)27(26,4)12-13-29(19,30)6/h15,18-20,22-26,31-35H,1,8-14,16H2,2-7H3/t18-,19-,20-,22-,23+,24+,25-,26-,27+,28-,29-,30+/m1/s1
InChI key： LJWAEAIXBCCHLR-ITWKNSBQSA-N
SMILES： C[C@H](C[C@@H](O)[C@H](O)C(=C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C
Systematic name  (3)：
  • (23R,24R)-ククルビタ-5,25-ジエン-3β,7β,23,24,29-ペンタオール
  • (1R,3aS,3bR,4S,6S,7S,9aS,9bS,11aR)-1-[(2R,4R,5R)-4,5-ジヒドロキシ-6-メチルヘプタ-6-エン-2-イル]-6-(ヒドロキシメチル)-3a,6,9b,11a-テトラメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4,7-ジオール
  • (1R,3aS,3bR,4S,6S,7S,9aS,9bS,11aR)-1-[(2R,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-6-(hydroxymethyl)-3a,6,9b,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-4,7-diol
Other name (3)：
  • (23R,24R)-Cucurbita-5,25-diene-3β,7β,23,24,29-pentaol
  • バルサミナペンタオールA
  • Balsaminapentaol A
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