Chem
J-GLOBAL ID：200907069194049714   Nikkaji number：J1.085.553E

Laetiposide A

ラエチポシド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： C37H60O9
Molecular formula furigana： C37-H60-O9
Molecular weight： 648.878
InChI： InChI=1S/C37H60O9/c1-19(2)20(3)9-10-21(32(43)44)22-11-16-37(8)28-23(12-15-36(22,37)7)35(6)14-13-27(39)34(4,5)26(35)17-24(28)45-33-31(42)30(41)29(40)25(18-38)46-33/h19,21-22,24-27,29-31,33,38-42H,3,9-18H2,1-2,4-8H3,(H,43,44)/t21-,22-,24-,25-,26+,27+,29-,30+,31-,33-,35-,36-,37+/m1/s1
InChI key： VWMVCDKDDCSCQH-ZWNGJGPRSA-N
SMILES： CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 3β-ヒドロキシ-7α-(β-D-グルコピラノシルオキシ)-24-メチレンラノスタ-8-エン-21-酸
  • (2R)-2-[(1R,3aR,4R,5aR,7S,9aS,11aR)-7-ヒドロキシ-3a,6,6,9a,11a-ペンタメチル-4-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-6-メチル-5-メチリデンヘプタン酸
  • (2R)-2-[(1R,3aR,4R,5aR,7S,9aS,11aR)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methyl-5-methylideneheptanoic acid
Other name (3)：
  • 3β-Hydroxy-7α-(β-D-glucopyranosyloxy)-24-methylenelanost-8-en-21-oic acid
  • ラエチポシドA
  • Laetiposide A
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