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30562-34-6 molecular structure
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(4E,6E,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate

ChemBase ID: 73174
Molecular Formular: C29H40N2O9
Molecular Mass: 560.6359
Monoisotopic Mass: 560.27338087
SMILES and InChIs

SMILES:
C1(=C2C[C@H](C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(/C(=O)NC(=CC1=O)C2=O)\C)OC)OC(=O)N)\C)C)O)OC)C)OC
Canonical SMILES:
CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(C2=O)NC(=O)/C(=C/C=C/[C@@H]([C@H](/C(=C/[C@@H]([C@H]1O)C)/C)OC(=O)N)OC)/C
InChI:
InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
InChIKey:
QTQAWLPCGQOSGP-PHLMVCJGSA-N

Cite this record

CBID:73174 http://www.chembase.cn/molecule-73174.html

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