Chem
J-GLOBAL ID：200907016980344014   Nikkaji number：J1.996.974F

1,3,3a,4,11,11a-Hexahydro-3-methoxy-3a,5,8-trihydroxy-4,11,12-trioxo-11a-[(4α,5α-dihydroxy-6β-methyltetrahydro-2H-pyran-2α-yl)oxy]-13-methyl-6,7-(methaniminomethano)anthra[2,3-c]furan-3-acetic acid γ-lactone

1,3,3a,4,11,11a-ヘキサヒドロ-3-メトキシ-3a,5,8-トリヒドロキシ-4,11,12-トリオキソ-11a-[(4α,5α-ジヒドロキシ-6β-メチルテトラヒドロ-2H-ピラン-2α-イル)オキシ]-13-メチル-6,7-(メタノイミノメタノ)アントラ[2,3-c]フラン-3-酢酸γ-ラクトン
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： C28H27NO13
Molecular formula furigana： C28-H27-N-O13
Molecular weight： 585.518
InChI： InChI=1S/C28H27NO13/c1-10-21(33)15(31)6-17(40-10)42-26-9-39-27(38-3)7-16(32)41-28(26,27)24(36)20-12(23(26)35)4-11-5-14(30)19-13(18(11)22(20)34)8-29(2)25(19)37/h4-5,10,15,17,21,30-31,33-34H,6-9H2,1-3H3/t10-,15+,17-,21-,26?,27?,28?/m1/s1
InChI key： FUPCTCUEYKCRGQ-HJHQPEDLSA-N
SMILES： COC12CC(=O)OC31C(=O)c1c(O)c4c5CN(C)C(=O)c5c(O)cc4cc1C(=O)C3(CO2)O[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1
Systematic name  (3)：
  • 1,3,3a,4,11,11a-ヘキサヒドロ-3-メトキシ-3a,5,8-トリヒドロキシ-4,11,12-トリオキソ-11a-[(4α,5α-ジヒドロキシ-6β-メチルテトラヒドロ-2H-ピラン-2α-イル)オキシ]-13-メチル-6,7-(メタノイミノメタノ)アントラ[2,3-c]フラン-3-酢酸γ-ラクトン
  • 15-{[(2R,4S,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-2,9-ジヒドロキシ-18-メトキシ-6-メチル-17,21-ジオキサ-6-アザヘキサシクロ[11.10.0.03,11.04,8.015,22.018,22]トリコサ-1(13),2,4(8),9,11-ペンタエン-7,14,20,23-テトラオン
  • 15-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-2,9-dihydroxy-18-methoxy-6-methyl-17,21-dioxa-6-azahexacyclo[11.10.0.03,11.04,8.015,22.018,22]tricosa-1(13),2,4(8),9,11-pentaene-7,14,20,23-tetrone
Other name (1)：
  • 1,3,3a,4,11,11a-Hexahydro-3-methoxy-3a,5,8-trihydroxy-4,11,12-trioxo-11a-[(4α,5α-dihydroxy-6β-methyltetrahydro-2H-pyran-2α-yl)oxy]-13-methyl-6,7-(methaniminomethano)anthra[2,3-c]furan-3-acetic acid γ-lactone
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