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(22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epivitamin D3 / (22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epicholecalciferol

Properties

Image

Occurences in reactions

MNX_ID

MNXM30673

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

formula

C₃₀H₄₈O₃

charge

mass

456.36035

reference

lipidmapsM:LMST03020461

InChIKey

FDGRGXLYGSXKRF-FERUBPRHSA-N

InChI

InChI=1S/C30H48O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8,11,13-14,21,25-28,31-33H,4,6-7,9-10,12,15-20H2,1-3,5H3/b11-8-,23-13+,24-14-/t21-,25+,26+,27-,28-,29+/m0/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)/C=C\CCC(O)(CC)CC)C[C@@H](O)C[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMST03020461 lipidmapsM:LMST03020461	(22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epivitamin D3 / (22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epicholecalciferol (5Z,7E,22Z)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol