Chem
J-GLOBAL ID:200907018390317952   Nikkaji number:J2.380.032B

Polycavernoside C2

ポリカバノシドC2
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: C45H74O15
Molecular formula furigana: C45-H74-O15
Molecular weight: 855.072
InChI: InChI=1S/C45H74O15/c1-25(2)18-16-14-15-17-19-35-45(6,7)34(47)20-26(3)37(50-9)30(46)21-29-22-31(27(4)32(57-29)23-36(48)59-35)58-43-41(53-12)39(33(49-8)24-55-43)60-44-42(54-13)40(52-11)38(51-10)28(5)56-44/h14-19,25-29,31-35,37-44,47H,20-24H2,1-13H3/b15-14+,18-16+,19-17+/t26-,27-,28+,29-,31+,32+,33-,34-,35-,37-,38-,39+,40-,41-,42+,43+,44+/m1/s1
InChI key: JVTQJWOAUFEPSV-ZDSIYJBASA-N
SMILES: CO[C@@H]1CO[C@@H](O[C@H]2C[C@H]3CC(=O)[C@H](OC)[C@H](C)C[C@@H](O)C(C)(C)[C@H](OC(=O)C[C@H](O3)[C@@H]2C)/C=C/C=C/C=C/C(C)C)[C@H](OC)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]1OC
Systematic name  (3):
  • (4S)-5α,12α,15,15-テトラメチル-6β-[2-O,4-O-ジメチル-3-O-(2-O,3-O,4-O-トリメチル-α-L-フコピラノシル)-β-D-キシロピラノシルオキシ]-11α-メトキシ-14β-ヒドロキシ-16β-[(1E,3E,5E)-7-メチル-1,3,5-オクタトリエニル]-4α,8α-エポキシ-1-オキサシクロヘキサデカン-2,10-ジオン
  • (1S,5R,7R,9R,10R,13S,15S,16S)-15-{[(2S,3R,4S,5R)-3,5-ジメトキシ-4-{[(2S,3S,4R,5R,6S)-3,4,5-トリメトキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-7-ヒドロキシ-10-メトキシ-6,6,9,16-テトラメチル-5-[(1E,3E,5E)-7-メチルオクタ-1,3,5-トリエン-1-イル]-4,17-ジオキサビシクロ[11.3.1]ヘプタデカン-3,11-ジオン
  • (1S,5R,7R,9R,10R,13S,15S,16S)-15-{[(2S,3R,4S,5R)-3,5-dimethoxy-4-{[(2S,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-10-methoxy-6,6,9,16-tetramethyl-5-[(1E,3E,5E)-7-methylocta-1,3,5-trien-1-yl]-4,17-dioxabicyclo[11.3.1]heptadecane-3,11-dione
Other name (4):
  • (4S)-5α,12α,15,15-Tetramethyl-6β-[2-O,4-O-dimethyl-3-O-(2-O,3-O,4-O-trimethyl-α-L-fucopyranosyl)-β-D-xylopyranosyloxy]-11α-methoxy-14β-hydroxy-16β-[(1E,3E,5E)-7-methyl-1,3,5-octatrienyl]-4α,8α-epoxy-1-oxacyclohexadecane-2,10-dione
  • ポリカベルノシドC2
  • Polycavernoside C2
  • ポリカバノシドC2
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