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

Properties

Image

Occurences in reactions

MNX_ID

MNXM30667

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

formula

C₃₁H₄₈O₄

charge

mass

484.35526

reference

lipidmapsM:LMST03020486

InChIKey

LWMYATUXOQDOCP-HQZNHLNTSA-N

InChI

InChI=1S/C31H48O4/c1-7-31(34,8-2)18-10-12-29(35-6)22(4)26-15-16-27-23(11-9-17-30(26,27)5)13-14-24-19-25(32)20-28(33)21(24)3/h13-14,22,25-29,32-34H,3,7-9,11,15-20H2,1-2,4-6H3/b23-13+,24-14-/t22-,25-,26-,27+,28+,29-,30-/m1/s1

SMILES

C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)[C@@H](C#CCC(O)(CC)CC)OC)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:LMST03020486 lipidmapsM:LMST03020486	(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 / (22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epicholecalciferol (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol