Structure database (LMSD)

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LM IDLMPR01070184
Common NameMyxol glycoside/ (Myxoxanthophyll)
Systematic Name-
Synonyms-
Exact Mass
746.4758 (neutral)    Calculate m/z:
FormulaC46H66O8
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC40 isoprenoids (tetraterpenes) [PR0107]
LIPIDBANK IDVCA1102
PubChem CID16061291
InChIKeyVJHXSZGYVIKVEU-SKFWZKHZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29
-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(
49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21
-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,4
4?/m1/s1
SMILESC1(=C(C)C[C@@H](O)CC1(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C
=C(\C)/C=C/[C@@H](OC1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C(C)(C)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms54Rings2Aromatic Rings0Rotatable Bonds16
 van der Waals
Molecular Volume
818.28Topological Polar
Surface Area
141.91Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
8
 logP10.08Molar
Refractivity
224.87