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Chemical ID: 5266417

Chemical ID:

5266417

Name [?]:

13,15-dimethoxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-3,13,15,17-tetraen-11-one

SMILES [?]:

CC1CCCCC=CCc2cc(cc(c2C(=O)O1)OC)OC

InChi [?]:

InChI=1/C18H24O4/c1-13-9-7-5-4-6-8-10-14-11-15(20-2)12-16(21-3)17(14)18(19)22-13/h6,8,11-13H,4-5,7,9-10H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,22,20,6,5,7,4,8,3,9,11,13,2,10,12,14,15,16,17,21,19,18/rA:22cCCCCCCCCCCCCCCCCOOOCOC/rB:s1;s2;s3;s4;s5;s6;w7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;s2s16;s14;s19;s12;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	7.49506
Area:	468.56
Solvation:	-4.21893
Coulombic:	-35.2491

Bond Count [?]

All:	23
Single:	18
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	304.381
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.97
LogP (Chemaxon):	3.6

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value