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Dolichosterone

Properties

Image

Occurences in reactions

MNX_ID

MNXM125098

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

formula

C₂₈H₄₆O₅

charge

mass

462.33452

reference

chebi:172693

InChIKey

CYPKCRFYMBXYBU-NJSRRFNUSA-N

InChI

InChI=1S/C28H46O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14,16-21,23-26,30-33H,3,7-13H2,1-2,4-6H3/t16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1

SMILES

C=C(C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172693 chebi:172693	Dolichosterone (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
hmdb:HMDB0034336	Dolichosterone 14-(3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one
metacyc.compound:CPD-21739 metacycM:CPD-21739	dolichosterone
hmdb:HMDB34336	secondary/obsolete/fantasy identifier