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(6R)-vitamin D3 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct / (6R)-cholecalciferol 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct

Properties

Image

Occurences in reactions

MNX_ID

MNXM31345

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₄₂H₅₉N₅O₆

charge

mass

729.44653

reference

lipidmapsM:LMST03020541

InChIKey

NYBIKSUZWYWSGA-LDTINZFCSA-N

InChI

InChI=1S/C42H59N5O6/c1-25(2)10-8-11-26(3)31-15-16-32-27(12-9-18-42(31,32)4)20-35-30-21-29(48)14-13-28(30)24-46-40(50)45(41(51)47(35)46)19-17-33-39(49)44(5)36-23-38(53-7)37(52-6)22-34(36)43-33/h20,22-23,25-26,29,31-32,35,48H,8-19,21,24H2,1-7H3/b27-20+/t26-,29+,31-,32+,35-,42-/m1/s1

SMILES

COc1cc2nc(CCn3c(=O)n4n(c3=O)[C@H](/C=C3\CCC[C@@]5(C)[C@H]3CC[C@@H]5[C@H](C)CCCC(C)C)C3=C(CC[C@H](O)C3)C4)c(=O)n(C)c2cc1OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMST03020541 lipidmapsM:LMST03020541	(6R)-vitamin D3 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct / (6R)-cholecalciferol 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct (7E)-(3S,6R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct