1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid,a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propenyl]-, (aR,2S,5R,6R,8S)-


Chemical Name: 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid,a,5-dihydroxy-a,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propenyl]-, (aR,2S,5R,6R,8S)-
CAS Number: 78111-17-8
Product Number: AG003AXF(AGN-PC-0UCZXC)
Synonyms:
MDL No:
Molecular Formula: C44H68O13
Molecular Weight: 805.0029

Identification/Properties


Properties
Storage:
Inert atmosphere;-10 ℃;
Computed Properties
Molecular Weight:
805.015g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
5
Hydrogen Bond Acceptor Count:
13
Rotatable Bond Count:
10
Exact Mass:
804.466g/mol
Monoisotopic Mass:
804.466g/mol
Topological Polar Surface Area:
183A^2
Heavy Atom Count:
57
Formal Charge:
0
Complexity:
1520
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
17
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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