Chem
J-GLOBAL ID：201307066414264631   Nikkaji number：J3.173.356A

(3R)-1,3,3a,4,11,11a-Hexahydro-3-methoxy-3aα,5,8-trihydroxy-4,11,12-trioxo-11aα-[[(2S)-5α-hydroxy-6α-methyltetrahydro-2H-pyran]-2-yloxy]-13-methyl-6,7-(methaniminomethano)anthra[2,3-c]furan-3-acetic acid γ-lactone

(3R)-1,3,3a,4,11,11a-ヘキサヒドロ-3-メトキシ-3aα,5,8-トリヒドロキシ-4,11,12-トリオキソ-11aα-[[(2S)-5α-ヒドロキシ-6α-メチルテトラヒドロ-2H-ピラン]-2-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： C28H27NO12
Molecular formula furigana： C28-H27-N-O12
Molecular weight： 569.519
InChI： InChI=1S/C28H27NO12/c1-11-15(30)4-5-18(39-11)41-26-10-38-27(37-3)8-17(32)40-28(26,27)24(35)21-13(23(26)34)6-12-7-16(31)20-14(19(12)22(21)33)9-29(2)25(20)36/h6-7,11,15,18,30-31,33H,4-5,8-10H2,1-3H3/t11-,15-,18-,26-,27+,28+/m0/s1
InChI key： XFQJOLWXLJXJSV-QNCKCNOXSA-N
SMILES： CO[C@@]12CC(=O)O[C@]31C(=O)c1c(O)c4c5CN(C)C(=O)c5c(O)cc4cc1C(=O)[C@]3(CO2)O[C@H]1CC[C@H](O)[C@H](C)O1
Systematic name  (3)：
  • (3R)-1,3,3a,4,11,11a-ヘキサヒドロ-3-メトキシ-3aα,5,8-トリヒドロキシ-4,11,12-トリオキソ-11aα-[[(2S)-5α-ヒドロキシ-6α-メチルテトラヒドロ-2H-ピラン]-2-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
  • (15R,18R,22S)-2,9-ジヒドロキシ-15-{[(2S,5S,6S)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-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
  • (15R,18R,22S)-2,9-dihydroxy-15-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-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)：
  • (3R)-1,3,3a,4,11,11a-Hexahydro-3-methoxy-3aα,5,8-trihydroxy-4,11,12-trioxo-11aα-[[(2S)-5α-hydroxy-6α-methyltetrahydro-2H-pyran]-2-yloxy]-13-methyl-6,7-(methaniminomethano)anthra[2,3-c]furan-3-acetic acid γ-lactone
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