Chem
J-GLOBAL ID：200907032805034199   Nikkaji number：J2.361.487A

Uroleuconaphin B1

ウロロイコナフィンB1
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： C30H28O12
Molecular formula furigana： C30-H28-O12
Molecular weight： 580.542
InChI： InChI=1S/C30H28O12/c1-8-17-21(24(34)10(3)40-8)26(36)20-19(25(17)35)15(33)7-16-23(20)29(39)13-5-12(31)6-14(32)18(13)27(37)22-9(2)41-11(4)28(38)30(22,29)42-16/h5-11,22,24,28,31-34,38-39H,1-4H3/t8-,9-,10-,11-,22-,24?,28-,29+,30+/m1/s1
InChI key： TWWXWXAGJFXBMI-IPMBVDSNSA-N
SMILES： C[C@H]1O[C@H](C)C2=C(C1O)C(=O)c1c3c(O[C@]45[C@H](O)[C@@H](C)O[C@H](C)[C@@H]4C(=O)c4c(O)cc(O)cc4[C@]35O)cc(O)c1C2=O
Systematic name  (3)：
  • (1R)-1β,3α-ジメチル-4β,5,7,9-テトラヒドロキシ-4aβ,5β-[オキシ[(1R,3R)-1,3-ジメチル-4,9-ジヒドロキシ-5,10-ジオキソ-3,4-ジヒドロ-1H-ナフト[2,3-c]ピラン-7,6-ジイル]]-3,4,4a,5,10,10aα-ヘキサヒドロ-1H-ナフト[2,3-c]ピラン-10-オン
  • (1S,9R,11R,17S,25S,26R,28R,29R)-5,12,17,20,22,29-ヘキサヒドロキシ-9,11,26,28-テトラメチル-2,10,27-トリオキサヘプタシクロ[15.12.0.01,25.03,16.06,15.08,13.018,23]ノナコサ-3,5,8(13),15,18,20,22-ヘプタエン-7,14,24-トリオン
  • (1S,9R,11R,17S,25S,26R,28R,29R)-5,12,17,20,22,29-hexahydroxy-9,11,26,28-tetramethyl-2,10,27-trioxaheptacyclo[15.12.0.01,25.03,16.06,15.08,13.018,23]nonacosa-3,5,8(13),15,18,20,22-heptaene-7,14,24-trione
Other name (3)：
  • (1R)-1β,3α-Dimethyl-4β,5,7,9-tetrahydroxy-4aβ,5β-[oxy[(1R,3R)-1,3-dimethyl-4,9-dihydroxy-5,10-dioxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-7,6-diyl]]-3,4,4a,5,10,10aα-hexahydro-1H-naphtho[2,3-c]pyran-10-one
  • ウロロイコナフィンB1
  • Uroleuconaphin B1
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