10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione

C34H57NO11 — CID 54227755

IUPAC10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione
SMILESCOC1(C)CC(OC2C(C)C(=O)OC(C)C(=O)C(C)=C3OC(C)(CC3C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O
InChIInChI=1S/C34H57NO11/c1-16-14-34(9)30(45-32-26(37)23(35(10)11)13-17(2)41-32)19(4)28(44-24-15-33(8,40-12)29(38)22(7)42-24)20(5)31(39)43-21(6)25(36)18(3)27(16)46-34/h16-17,19-24,26,28-30,32,37-38H,13-15H2,1-12H3
InChIKeyQHBHRQIQAKYOOC-UHFFFAOYSA-N
MW655.83 g/mol
LogP2.96
Rot. Bonds6

About 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione

10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione (PubChem CID 54227755) has the molecular formula C34H57NO11 and a molecular weight of 655.83 g/mol. Its IUPAC name is 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione.

Molecular Properties

Compound Name10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione
PubChem CID54227755
Molecular FormulaC34H57NO11
Molecular Weight655.83 g/mol
Exact Mass655.39
IUPAC Name10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione
SMILESCOC1(C)CC(OC2C(C)C(=O)OC(C)C(=O)C(C)=C3OC(C)(CC3C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O
InChIInChI=1S/C34H57NO11/c1-16-14-34(9)30(45-32-26(37)23(35(10)11)13-17(2)41-32)19(4)28(44-24-15-33(8,40-12)29(38)22(7)42-24)20(5)31(39)43-21(6)25(36)18(3)27(16)46-34/h16-17,19-24,26,28-30,32,37-38H,13-15H2,1-12H3
InChIKeyQHBHRQIQAKYOOC-UHFFFAOYSA-N
XLogP2.96
TPSA142.45 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione with MolForge

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Related Compounds

(4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1-ene-3,7-dione
CID 91292307
(3R,4S,5S,6R,7S,9R,11R,12S,13R,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7,12-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-(3-methylcyclobutyl)-oxacyclotetradecane-2,10-dione
CID 163000544
(2R,3S,7S,8R,11R,12S,13S,14R,15R)-14-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadec-1(17)-ene-5,10-dione
CID 169436934
(2S,3R,6R,7S,8S,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-(1-hydroxyethyl)-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 11700276
(2R,4R,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethoxy-5-ethyl-4-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
CID 177437507
12-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-4,5-dihydroxy-10-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
CID 3773004
(5S,6R,9R,10S,11S,12R,13S,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-5-hydroxy-10-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
CID 163930929
(3R,4R,5S,6R,9R,10S,11S,12R,13S,15S)-12-[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-4,5-dihydroxy-10-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
CID 129371865
(3R,4S,5S,6R,7R,9R,11E,13S,14R)-6-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,10-dione
CID 170793096
(2S,3R,6R,7S,8S,9R,10R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridecan-5-one
CID 16661119
(2R,3S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2R,4R,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
CID 142868811
(3R,4S,5S,6R,7S,9R,13S,14R)-6-[(3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,10-dione
CID 91227312

Frequently Asked Questions

What is the IUPAC name of 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione?
The IUPAC name of 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione (CID 54227755) is 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione.
What is the SMILES notation for 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione?
The canonical SMILES for 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione is COC1(C)CC(OC2C(C)C(=O)OC(C)C(=O)C(C)=C3OC(C)(CC3C)C(OC3OC(C)CC(N(C)C)C3O)C2C)OC(C)C1O.
What is the InChIKey of 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione?
The InChIKey is QHBHRQIQAKYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57NO11/c1-16-14-34(9)30(45-32-26(37)23(35(10)11)13-17(2)41-32)19(4)28(44-24-15-33(8,40-12)29(38)22(7)42-24)20(5)31(39)43-21(6)25(36)18(3)27(16)46-34/h16-17,19-24,26,28-30,32,37-38H,13-15H2,1-12H3.
What are the key properties of 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione?
10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione has a molecular weight of 655.83 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,4,7,9,11,13-hexamethyl-5,14-dioxabicyclo[9.2.1]tetradec-1-ene-3,6-dione is sourced from PubChem (CID 54227755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).