Chem
J-GLOBAL ID:200907035209698186   Nikkaji number:J1.547.997C

Amphidinol 2

アンフィジノール2
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: C71H122O25
Molecular formula furigana: C71-H122-O25
Molecular weight: 1375.732
InChI: InChI=1S/C71H122O25/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-51(79)65(89)70-68(92)57(85)37-61(96-70)69(93)63(87)43(6)22-24-50(78)58-36-56(84)67(91)71(95-58)66(90)53(81)29-39(2)21-23-45(73)33-54(82)62(86)44(7)31-47(75)27-41(4)25-40(3)26-46(74)28-42(5)30-52(80)59-35-55(83)64(88)60(94-59)34-48(76)32-49(77)38-72/h8,11-16,19-20,25,29,41-42,44-93H,1,6,9-10,17-18,21-24,26-28,30-38H2,2-5,7H3/b12-11+,14-13+,16-15+,20-19+,39-29+,40-25+
InChI key: LNUIEJGKZGFNMR-WZHIWWTGSA-N
SMILES: CC(CC(O)C/C(=C/C(C)CC(O)CC(C)C(O)C(O)CC(O)CC/C(=C/C(O)C(O)C1OC(CC(O)C1O)C(O)CCC(=C)C(O)C(O)C1CC(O)C(O)C(O1)C(O)C(O)/C=C/CC/C=C/C=C/C=C/CCC=C)/C)/C)CC(O)C1CC(O)C(O)C(CC(O)CC(O)CO)O1
Systematic name  (3):
  • 2-[(3E,16E)-1,2,7,9,10,13,19,23,26,27,30,32,33-トリデカヒドロキシ-4,11,15,17,21-ペンタメチル-24,28-エポキシトリトリアコンタ-3,16-ジエニル]-6-[1,5,6-トリヒドロキシ-4-メチレン-6-[4,5-ジヒドロキシ-6-[(3E,7E,9E,11E)-1,2-ジヒドロキシヘキサデカ-3,7,9,11,15-ペンタエニル]テトラヒドロ-2H-ピラン-2-イル]ヘキシル]テトラヒドロ-2H-ピラン-3,4-ジオール
  • (3E,16E)-23-[4,5-ジヒドロキシ-6-(2,4,5-トリヒドロキシペンチル)オキサン-2-イル]-1-[6-(6-{6-[(3E,7E,9E,11E)-1,2-ジヒドロキシヘキサデカ-3,7,9,11,15-ペンタエン-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]-4,11,15,17,21-ペンタメチルトリコサ-3,16-ジエン-1,2,7,9,10,13,19,23-オクタオール
  • (3E,16E)-23-[4,5-dihydroxy-6-(2,4,5-trihydroxypentyl)oxan-2-yl]-1-[6-(6-{6-[(3E,7E,9E,11E)-1,2-dihydroxyhexadeca-3,7,9,11,15-pentaen-1-yl]-4,5-dihydroxyoxan-2-yl}-1,5,6-trihydroxy-4-methylidenehexyl)-3,4-dihydroxyoxan-2-yl]-4,11,15,17,21-pentamethyltricosa-3,16-dien-1,2,7,9,10,13,19,23-octol
Other name (3):
  • 2-[(3E,16E)-1,2,7,9,10,13,19,23,26,27,30,32,33-Tridecahydroxy-4,11,15,17,21-pentamethyl-24,28-epoxytritriaconta-3,16-dienyl]-6-[1,5,6-trihydroxy-4-methylene-6-[4,5-dihydroxy-6-[(3E,7E,9E,11E)-1,2-dihydroxyhexadeca-3,7,9,11,15-pentenyl]tetrahydro-2H-pyran-2-yl]hexyl]tetrahydro-2H-pyran-3,4-diol
  • アンフィジノール2
  • Amphidinol 2
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