Chem
J-GLOBAL ID：200907032906166797   Nikkaji number：J2.293.493G

Karatungiol B

カラツンギオール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： C74H132O28
Molecular formula furigana： C74-H132-O28
Molecular weight： 1469.842
InChI： InChI=1S/C74H132O28/c1-6-7-8-9-10-11-12-13-14-15-16-21-31-50(80)63(92)69(98)73-66(95)58(88)40-59(101-73)67(96)60(89)44(4)32-33-51(81)72-70(99)68(97)71(100)74(102-72)65(94)55(85)36-43(3)35-54(84)62(91)56(86)39-57(87)64(93)61(90)45(5)37-53(83)52(82)34-42(2)25-19-17-18-20-27-47(77)38-48(78)28-23-22-26-46(76)29-24-30-49(79)41-75/h6,19-21,25,27,31,36,42,45-46,48-76,78-100H,1,4,7-18,22-24,26,28-30,32-35,37-41H2,2-3,5H3/b25-19+,27-20+,31-21+,43-36+/t42?,45?,46?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58-,59-,60?,61?,62?,63?,64?,65?,66-,67?,68-,69?,70+,71-,72-,73-,74+/m1/s1
InChI key： DUBOJENOJMDFKY-IIXOBEHFSA-N
SMILES： CC(CC(O)C(O)CC(C)C(O)C(O)C(O)CC(O)C(O)C(O)C/C(=C/C(O)C(O)[C@@H]1O[C@H](C(O)CCC(=C)C(O)C(O)[C@H]2C[C@@H](O)[C@@H](O)[C@@H](O2)C(O)C(O)C(O)/C=C/CCCCCCCCCCC=C)[C@@H](O)[C@@H](O)[C@H]1O)/C)/C=C/CC/C=C/C(=O)CC(O)CCCCC(O)CCCC(O)CO
Systematic name  (3)：
  • (14E,18E,34E)-1,2,6,11,22,23,26,27,28,30,31,32,36,37-テトラデカヒドロキシ-37-[6-[3-メチレン-4,5-ジヒドロキシ-5-[6-[(3E)-1,2-ジヒドロキシ-3,15-ヘキサデカジエニル]-2-デオキシ-α-L-ribo-ヘキソピラノシル]ペンチル]-β-D-アロピラノシル]-20,25,34-トリメチルヘプタトリアコンタ-14,18,34-トリエン-13-オン
  • (14E,18E,34E)-37-[(2S,3R,4R,5S,6R)-6-{6-[(2R,4R,5R,6R)-4,5-ジヒドロキシ-6-[(4E)-1,2,3-トリヒドロキシヘプタデカ-4,16-ジエン-1-イル]オキサン-2-イル]-1,5,6-トリヒドロキシ-4-メチリデンヘキシル}-3,4,5-トリヒドロキシオキサン-2-イル]-1,2,6,11,22,23,26,27,28,30,31,32,36,37-テトラデカヒドロキシ-20,25,34-トリメチルヘプタトリアコンタ-14,18,34-トリエン-13-オン
  • (14E,18E,34E)-37-[(2S,3R,4R,5S,6R)-6-{6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-[(4E)-1,2,3-trihydroxyheptadeca-4,16-dien-1-yl]oxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl}-3,4,5-trihydroxyoxan-2-yl]-1,2,6,11,22,23,26,27,28,30,31,32,36,37-tetradecahydroxy-20,25,34-trimethylheptatriaconta-14,18,34-trien-13-one
Other name (3)：
  • (14E,18E,34E)-1,2,6,11,22,23,26,27,28,30,31,32,36,37-Tetradecahydroxy-37-[6-[3-methylene-4,5-dihydroxy-5-[6-[(3E)-1,2-dihydroxy-3,15-hexadecadienyl]-2-deoxy-α-L-ribo-hexopyranosyl]pentyl]-β-D-allopyranosyl]-20,25,34-trimethylheptatriaconta-14,18,34-triene-13-one
  • カラツンギオールB
  • Karatungiol B
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