Chem
J-GLOBAL ID：200907054999754018   Nikkaji number：J1.085.710D

Laetiposide B

ラエチポシドB
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： C36H58O9
Molecular formula furigana： C36-H58-O9
Molecular weight： 634.851
InChI： InChI=1S/C36H58O9/c1-19(2)9-8-10-20(31(42)43)21-11-16-36(7)27-22(12-15-35(21,36)6)34(5)14-13-26(38)33(3,4)25(34)17-23(27)44-32-30(41)29(40)28(39)24(18-37)45-32/h9,20-21,23-26,28-30,32,37-41H,8,10-18H2,1-7H3,(H,42,43)/t20-,21-,23-,24-,25+,26+,28-,29+,30-,32-,34-,35-,36+/m1/s1
InChI key： CDBVMUNFRJLBSP-ZGZZODILSA-N
SMILES： CC(=CCC[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)C
Systematic name  (3)：
  • 3β-ヒドロキシ-7α-(β-D-グルコピラノシルオキシ)ラノスタ-8,24-ジエン-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-メチルヘプタ-5-エン酸
  • (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-methylhept-5-enoic acid
Other name (3)：
  • 3β-Hydroxy-7α-(β-D-glucopyranosyloxy)lanosta-8,24-dien-21-oic acid
  • ラエチポシドB
  • Laetiposide B
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