Butanoic acid, 2-(((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-(2(S*),5a,6b))-

HCID 461669

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기본 정보

CAS: 148676-98-6
표준 SMILES: CC[C@@H](NC(=O)c1c(C)cc2c(c1O)-c1c(cc3c(c1O)C(=O)c1cc(OC)cc(O)c1C3=O)[C@H](O)[C@H]2O[C@@H]1O[C@H](C)[C@H](NC)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C(=O)O
InChIKey: NBDSBDHOGDOOHD-JYBFNPKBSA-N
분자식: C41H46N2O18
평균 분자량: 854.815 g/mol
단동위원소 질량: 854.27456263

우선 이름: Butanoic acid, 2-(((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-(2(S*),5a,6b))-
IUPAC: (2R)-2-{[(5S,6S)-5-{[4,6-Dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl]amino}butanoic acid

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CAS: 148676-98-6
표준 SMILES: CC[C@@H](NC(=O)c1c(C)cc2c(c1O)-c1c(cc3c(c1O)C(=O)c1cc(OC)cc(O)c1C3=O)[C@H](O)[C@H]2O[C@@H]1O[C@H](C)[C@H](NC)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O)C(=O)O
InChIKey: NBDSBDHOGDOOHD-JYBFNPKBSA-N
분자식: C41H46N2O18
평균 분자량: 854.815 g/mol
단동위원소 질량: 854.27456263

우선 이름: Butanoic acid, 2-(((5-((4,6-dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)amino)-, (5S-(2(S*),5a,6b))-
IUPAC: (2R)-2-{[(5S,6S)-5-{[4,6-Dideoxy-4-(methylamino)-3-O-beta-D-xylopyranosyl-beta-D-galactopyranosyl]oxy}-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl]amino}butanoic acid

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