Chem
J-GLOBAL ID:200907092468998167   Nikkaji number:J506.457K

K-41A

(αR)-6α-[[(5R)-2α-[[5β-[[5α-[[4α-[[(5α-メトキシ-6β-メチルテトラヒドロ-2H-ピラン)-2β-イル]オキシ]-3β,5β,6-トリメチル-6β-ヒドロキシテトラヒドロ-2H-ピラン]-2α-イル]テトラヒドロフラン]-2β-イル]テトラヒドロフラン]-2β-イル]-2β,4β,10β-トリメチル-3α,9β-ジメトキシ-1,6-ジオキサスピロ[4.5]デカン-7α-イル]メチル]-3β,5-ジメチル-4α,5β-ジメトキシ-2β,α-ジヒドロキシテトラヒドロ-2H-ピラン-2-酢酸
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: C48H82O18
Molecular formula furigana: C48-H82-O18
Molecular weight: 947.166
InChI: InChI=1S/C48H82O18/c1-23-38(62-37-20-18-30(54-10)28(6)59-37)25(3)46(9,52)65-39(23)33-16-15-31(60-33)32-17-19-35(61-32)45(8)42(57-13)27(5)48(66-45)24(2)34(55-11)21-29(63-48)22-36-44(7,58-14)41(56-12)26(4)47(53,64-36)40(49)43(50)51/h23-42,49,52-53H,15-22H2,1-14H3,(H,50,51)/t23-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42+,44-,45+,46-,47-,48+/m0/s1
InChI key: QFHLVPYVNFSTBE-LXWWWYJMSA-N
SMILES: CO[C@@H]1[C@@H](C)[C@@]2(O[C@]1(C)[C@H]1CC[C@H](O1)[C@H]1CC[C@@H](O1)[C@H]1O[C@](C)(O)[C@H](C)[C@@H](O[C@H]3CC[C@H](OC)[C@@H](C)O3)[C@@H]1C)O[C@H](C[C@@H]1O[C@](O)([C@@H](O)C(=O)O)[C@@H](C)[C@H](OC)[C@@]1(C)OC)C[C@@H](OC)[C@H]2C
Systematic name  (3):
  • (αR)-6α-[[(5R)-2α-[[5β-[[5α-[[4α-[[(5α-メトキシ-6β-メチルテトラヒドロ-2H-ピラン)-2β-イル]オキシ]-3β,5β,6-トリメチル-6β-ヒドロキシテトラヒドロ-2H-ピラン]-2α-イル]テトラヒドロフラン]-2β-イル]テトラヒドロフラン]-2β-イル]-2β,4β,10β-トリメチル-3α,9β-ジメトキシ-1,6-ジオキサスピロ[4.5]デカン-7α-イル]メチル]-3β,5-ジメチル-4α,5β-ジメトキシ-2β,α-ジヒドロキシテトラヒドロ-2H-ピラン-2-酢酸
  • (2R)-2-ヒドロキシ-2-[(2S,3S,4S,5S,6S)-2-ヒドロキシ-6-{[(2R,3R,4R,5R,7S,9R,10R)-2-[(2S,2'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-ヒドロキシ-4-{[(2R,5S,6R)-5-メトキシ-6-メチルオキサン-2-イル]オキシ}-3,5,6-トリメチルオキサン-2-イル]-[2,2'-ビオキソラン]-5-イル]-3,9-ジメトキシ-2,4,10-トリメチル-1,6-ジオキサスピロ[4.5]デカン-7-イル]メチル}-4,5-ジメトキシ-3,5-ジメチルオキサン-2-イル]酢酸
  • (2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-2-hydroxy-6-{[(2R,3R,4R,5R,7S,9R,10R)-2-[(2S,2'R,5R,5'R)-5'-[(2S,3S,4S,5R,6S)-6-hydroxy-4-{[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy}-3,5,6-trimethyloxan-2-yl]-[2,2'-bioxolan]-5-yl]-3,9-dimethoxy-2,4,10-trimethyl-1,6-dioxaspiro[4.5]decan-7-yl]methyl}-4,5-dimethoxy-3,5-dimethyloxan-2-yl]acetic acid
Other name (2):
  • K-41A
  • (αR)-6α-[[(5R)-2α-[[5β-[[5α-[[4α-[[(5α-Methoxy-6β-methyltetrahydro-2H-pyran)-2β-yl]oxy]-3β,5β,6-trimethyl-6β-hydroxytetrahydro-2H-pyran]-2α-yl]tetrahydrofuran]-2β-yl]tetrahydrofuran]-2β-yl]-2β,4β,10β-trimethyl-3α,9β-dimethoxy-1,6-dioxaspiro[4.5]decan-7α-yl]methyl]-3β,5-dimethyl-4α,5β-dimethoxy-2β,α-dihydroxytetrahydro-2H-pyran-2-acetic acid
Thsaurus map:

Return to Previous Page