15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

C35H57NO11 — CID 162923442

IUPAC15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1OC1OC(C)C(O)C(OC)C1O
InChIInChI=1S/C35H57NO11/c1-10-26-27(46-35-31(41)33(42-9)29(39)23(6)44-35)14-12-11-13-25(37)20(3)17-21(4)32(19(2)15-16-28(38)45-26)47-34-30(40)24(36(7)8)18-22(5)43-34/h11-16,19-24,26-27,29-35,39-41H,10,17-18H2,1-9H3
InChIKeyODUZGVVGEHAFIV-UHFFFAOYSA-N
MW667.84 g/mol
LogP2.54
Rot. Bonds7

About 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (PubChem CID 162923442) has the molecular formula C35H57NO11 and a molecular weight of 667.84 g/mol. Its IUPAC name is 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.

Molecular Properties

Compound Name15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
PubChem CID162923442
Molecular FormulaC35H57NO11
Molecular Weight667.84 g/mol
Exact Mass667.39
IUPAC Name15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
SMILESCCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1OC1OC(C)C(O)C(OC)C1O
InChIInChI=1S/C35H57NO11/c1-10-26-27(46-35-31(41)33(42-9)29(39)23(6)44-35)14-12-11-13-25(37)20(3)17-21(4)32(19(2)15-16-28(38)45-26)47-34-30(40)24(36(7)8)18-22(5)43-34/h11-16,19-24,26-27,29-35,39-41H,10,17-18H2,1-9H3
InChIKeyODUZGVVGEHAFIV-UHFFFAOYSA-N
XLogP2.54
TPSA153.45 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.84
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione with MolForge

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Related Compounds

(3E,5S,6R,7S,9S,11E,13E,15R,16S)-15-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-6-[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 162966028
(3E,5S,7S,9R,11E,13Z,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 177431261
6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 3056300
(3E,5S,6S,7S,9R,11E,13E,15S,16R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 162908356
(3E,11E,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 12784330
(2R,8S,10S,12R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
CID 171319169
(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
CID 90657384
(3E,5S,6R,7R,9R,11E,13E,15R,16S)-6-[(2S,3S,4R,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-hydroxy-5,7,9-trimethyl-15-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
CID 162845652
(1S,2S,3R,6E,8S,9S,10S,12R,14E,16R)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
CID 163050900
(9E)-4-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 20845996
(3R,5R,6S,7S,9R,11E,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione
CID 5282036
6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-ethyl-4,15-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
CID 163103822

Frequently Asked Questions

What is the IUPAC name of 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The IUPAC name of 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione (CID 162923442) is 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione.
What is the SMILES notation for 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The canonical SMILES for 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is CCC1OC(=O)C=CC(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC(C)C(=O)C=CC=CC1OC1OC(C)C(O)C(OC)C1O.
What is the InChIKey of 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
The InChIKey is ODUZGVVGEHAFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57NO11/c1-10-26-27(46-35-31(41)33(42-9)29(39)23(6)44-35)14-12-11-13-25(37)20(3)17-21(4)32(19(2)15-16-28(38)45-26)47-34-30(40)24(36(7)8)18-22(5)43-34/h11-16,19-24,26-27,29-35,39-41H,10,17-18H2,1-9H3.
What are the key properties of 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione?
15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione has a molecular weight of 667.84 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione is sourced from PubChem (CID 162923442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).