Chem
J-GLOBAL ID：201007029492570132   Nikkaji number：J2.887.749H

(3S)-3-Methoxy-3aβ,5-dihydroxy-4,11,12-trioxo-8-(benzyloxy)-11aβ-(4-O-benzyl-2,3,6-trideoxy-α-L-threo-hexopyranosyloxy)-13-methyl-6,7-(methaniminomethano)-1,3,3a,4,11,11a-hexahydroanthra[2,3-c]furan-3β-acetic acid γ-lactone

(3S)-3-メトキシ-3aβ,5-ジヒドロキシ-4,11,12-トリオキソ-8-(ベンジルオキシ)-11aβ-(4-O-ベンジル-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシルオキシ)-13-メチル-6,7-(メタノイミノメタノ)-1,3,3a,4,11,11a-ヘキサヒドロアントラ[2,3-c]フラン-3β-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： C42H39NO12
Molecular formula furigana： C42-H39-N-O12
Molecular weight： 749.769
InChI： InChI=1S/C42H39NO12/c1-23-29(50-20-24-10-6-4-7-11-24)14-15-32(53-23)55-40-22-52-41(49-3)18-31(44)54-42(40,41)38(47)35-27(37(40)46)16-26-17-30(51-21-25-12-8-5-9-13-25)34-28(33(26)36(35)45)19-43(2)39(34)48/h4-13,16-17,23,29,32,45H,14-15,18-22H2,1-3H3/t23-,29-,32-,40+,41-,42-/m0/s1
InChI key： AYYPXEFTOLNCQH-NOKZBFDVSA-N
SMILES： CO[C@]12CC(=O)O[C@@]31C(=O)c1c(O)c4c5CN(C)C(=O)c5c(OCc5ccccc5)cc4cc1C(=O)[C@@]3(CO2)O[C@H]1CC[C@H](OCc2ccccc2)[C@H](C)O1
Systematic name  (3)：
  • (3S)-3-メトキシ-3aβ,5-ジヒドロキシ-4,11,12-トリオキソ-8-(ベンジルオキシ)-11aβ-(4-O-ベンジル-2,3,6-トリデオキシ-α-L-threo-ヘキソピラノシルオキシ)-13-メチル-6,7-(メタノイミノメタノ)-1,3,3a,4,11,11a-ヘキサヒドロアントラ[2,3-c]フラン-3β-酢酸γ-ラクトン
  • (15S,18S,22R)-9-(ベンジルオキシ)-15-{[(2S,5S,6S)-5-(ベンジルオキシ)-6-メチルオキサン-2-イル]オキシ}-2-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
  • (15S,18S,22R)-9-(benzyloxy)-15-{[(2S,5S,6S)-5-(benzyloxy)-6-methyloxan-2-yl]oxy}-2-hydroxy-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)：
  • (3S)-3-Methoxy-3aβ,5-dihydroxy-4,11,12-trioxo-8-(benzyloxy)-11aβ-(4-O-benzyl-2,3,6-trideoxy-α-L-threo-hexopyranosyloxy)-13-methyl-6,7-(methaniminomethano)-1,3,3a,4,11,11a-hexahydroanthra[2,3-c]furan-3β-acetic acid γ-lactone
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