Chem
J-GLOBAL ID：200907072140873730   Nikkaji number：J2.673.434G

Amphidinol 3

アンフィジノール3
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： C70H118O23
Molecular formula furigana： C70-H118-O23
Molecular weight： 1327.691
InChI： InChI=1S/C70H118O23/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-54(79)64(87)69-67(90)59(84)42-61(93-69)68(91)63(86)45(3)35-37-53(78)60-41-58(83)66(89)70(92-60)65(88)56(81)38-44(2)34-36-50(75)40-57(82)62(85)46(4)39-55(80)52(77)32-21-18-19-25-47(72)26-22-27-48(73)28-23-29-49(74)30-24-31-51(76)43-71/h5-7,10-15,20,23-24,28,30,33,38,46-91H,1,3,8-9,16-19,21-22,25-27,29,31-32,34-37,39-43H2,2,4H3/b7-6+,11-10+,13-12+,15-14+,28-23+,30-24+,33-20+,44-38+/t46-,47+,48+,49+,50-,51+,52-,53+,54+,55-,56+,57-,58+,59+,60+,61+,62+,63+,64-,65-,66+,67+,68-,69-,70-/m0/s1
InChI key： DUBIHFSXPHJGBY-ZNCDVLLSSA-N
SMILES： C[C@@H](C[C@H](O)[C@@H](O)CCCCC[C@@H](O)CCC[C@@H](O)/C=C/C[C@@H](O)/C=C/C[C@@H](O)CO)[C@@H](O)[C@@H](O)C[C@@H](O)CC/C(=C/[C@@H](O)[C@H](O)[C@@H]1O[C@H](C[C@@H](O)[C@H]1O)[C@H](O)CCC(=C)[C@@H](O)[C@@H](O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)/C=C/CC/C=C/C=C/C=C/CC/C=C/C=C)/C
Systematic name  (3)：
  • (2R,3R,4R,6R)-2-[(1S,2R,3E,7S,9S,10R,11S,13S,14S,20R,24R,25E,28R,29E,32R)-1,2,7,9,10,13,14,20,24,28,32,33-ドデカヒドロキシ-4,11-ジメチルトリトリアコンタ-3,25,29-トリエニル]-6-[(1R,5R,6R)-1,5,6-トリヒドロキシ-4-メチレン-6-[[(2R,3R,4R,6R)-3,4-ジヒドロキシ-2-[(1S,2R,3E,7E,9E,11E,15E)-1,2-ジヒドロキシオクタデカ-3,7,9,11,15,17-ヘキサエニル]テトラヒドロ-2H-ピラン]-6-イル]ヘキシル]テトラヒドロ-2H-ピラン-3,4-ジオール
  • (2R,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-[(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-ジヒドロキシオクタデカ-3,7,9,11,15,17-ヘキサエン-1-イル]-4,5-ジヒドロキシオキサン-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-ジヒドロキシオキサン-2-イル]-23,30-ジメチルトリトリアコンタ-4,8,30-トリエン-1,2,6,10,14,20,21,24,25,27,32,33-ドデカオール
  • (2R,4E,6R,8E,10R,14R,20S,21S,23S,24R,25S,27S,30E,32R,33S)-33-[(2R,3R,4R,6R)-6-[(1R,5R,6R)-6-[(2R,4R,5R,6R)-6-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaen-1-yl]-4,5-dihydroxyoxan-2-yl]-1,5,6-trihydroxy-4-methylidenehexyl]-3,4-dihydroxyoxan-2-yl]-23,30-dimethyltritriaconta-4,8,30-triene-1,2,6,10,14,20,21,24,25,27,32,33-dodecol
Other name (3)：
  • (2R,3R,4R,6R)-2-[(1S,2R,3E,7S,9S,10R,11S,13S,14S,20R,24R,25E,28R,29E,32R)-1,2,7,9,10,13,14,20,24,28,32,33-Dodecahydroxy-4,11-dimethyltritriaconta-3,25,29-trienyl]-6-[(1R,5R,6R)-1,5,6-trihydroxy-4-methylene-6-[[(2R,3R,4R,6R)-3,4-dihydroxy-2-[(1S,2R,3E,7E,9E,11E,15E)-1,2-dihydroxyoctadeca-3,7,9,11,15,17-hexaenyl]tetrahydro-2H-pyran]-6-yl]hexyl]tetrahydro-2H-pyran-3,4-diol
  • Amphidinol 3
  • アンフィジノール3
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