Chem
J-GLOBAL ID：200907003972662568   Nikkaji number：J2.700.316H

(5S)-3-[(13R,14R,17R,18R)-13,18-Dihydroxy-14,17-epoxy-27-[5-(dimethylamino)-1-naphthylsulfonylamino]heptacosane-1-yl]-5-methylfuran-2(5H)-one

(5S)-3-[(13R,14R,17R,18R)-13,18-ジヒドロキシ-14,17-エポキシ-27-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]ヘプタコサン-1-イル]-5-メチルフラン-2(5H)-オン
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： C44H70N2O7S
Molecular formula furigana： C44-H70-N2-O7-S
Molecular weight： 771.110
InChI： InChI=1S/C44H70N2O7S/c1-34-33-35(44(49)52-34)23-17-13-9-6-4-5-7-10-14-18-27-39(47)41-30-31-42(53-41)40(48)28-19-15-11-8-12-16-20-32-45-54(50,51)43-29-22-24-36-37(43)25-21-26-38(36)46(2)3/h21-22,24-26,29,33-34,39-42,45,47-48H,4-20,23,27-28,30-32H2,1-3H3/t34-,39+,40+,41+,42+/m0/s1
InChI key： JGDHMDPXQCOQBD-KVRRUJAESA-N
SMILES： C[C@@H]1OC(=O)C(=C1)CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCNS(=O)(=O)c1cccc2c(cccc12)N(C)C
Systematic name  (4)：
  • (5S)-3-[(13R,14R,17R,18R)-13,18-ジヒドロキシ-14,17-エポキシ-27-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]ヘプタコサン-1-イル]-5-メチルフラン-2(5H)-オン
  • (5S)-3-[(R)-13-ヒドロキシ-13-[(2R)-5α-[(R)-1-ヒドロキシ-10-[5-(ジメチルアミノ)-1-ナフチルスルホニルアミノ]デシル]テトラヒドロフラン-2β-イル]トリデシル]-5α-メチル-2,5-ジヒドロフラン-2-オン
  • 5-(ジメチルアミノ)-N-[(10R)-10-ヒドロキシ-10-[(2R,5R)-5-[(1R)-1-ヒドロキシ-13-[(5S)-5-メチル-2-オキソ-2,5-ジヒドロフラン-3-イル]トリデシル]オキソラン-2-イル]デシル]ナフタレン-1-スルホンアミド
  • 5-(dimethylamino)-N-[(10R)-10-hydroxy-10-[(2R,5R)-5-[(1R)-1-hydroxy-13-[(5S)-5-methyl-2-oxo-2,5-dihydrofuran-3-yl]tridecyl]oxolan-2-yl]decyl]naphthalene-1-sulfonamide
Other name (2)：
  • (5S)-3-[(13R,14R,17R,18R)-13,18-Dihydroxy-14,17-epoxy-27-[5-(dimethylamino)-1-naphthylsulfonylamino]heptacosane-1-yl]-5-methylfuran-2(5H)-one
  • (5S)-3-[(R)-13-Hydroxy-13-[(2R)-5α-[(R)-1-hydroxy-10-[5-(dimethylamino)-1-naphthylsulfonylamino]decyl]tetrahydrofuran-2β-yl]tridecyl]-5α-methyl-2,5-dihydrofuran-2-one
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