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Portensterol

Properties

Image

Occurences in reactions

MNX_ID

MNXM129843

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

formula

C₂₈H₄₄O₂

charge

mass

412.33413

reference

hmdb:HMDB0034331

InChIKey

RJWIGXOAUROSSK-FPLPWBNLSA-N

InChI

InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)23-11-12-24-22-10-9-20-15-21(29)13-14-27(20,5)26(22)25(30)16-28(23,24)6/h7-9,17-19,21,23-25,29-30H,10-16H2,1-6H3/b8-7-

SMILES

CC(C)C(C)/C=C\C(C)C1CCC2C3=C(C(O)CC21C)C1(C)CCC(O)CC1=CC3

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0034331	Portensterol (3beta,22E)-Ergosta-5,8,22-triene-3,11-diol 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),7-diene-5,17-diol Hydroxyisoergosterol
hmdb:HMDB34331	secondary/obsolete/fantasy identifier