(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
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![(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d46d0042f1f64723a1291746f24d4c6e.png "(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one")
(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
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CAS No:
170900-27-3
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Formula:
C35H64O7
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Chemical Name:
(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one
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Synonyms:
goniothalamicinone;goniothalamicinone, (2,4-cis)-isomer;Goniothalamicinone;170900-27-3;2,4-trans-Goniothalamicinone;DTXSID90937856;(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one;5-(6,9-Dihydroxy-9-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)nonyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(R*)))-;2(3H)-Furanone, 5-(6,9-dihydroxy-9-(tetrahydro-5-(1-hydroxypentadecyl)-2-furanyl)nonyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(R*)))-;5-{6,9-Dihydroxy-9-[5-(1-hydroxypentadecyl)oxolan-2-yl]nonyl}-3-(2-oxopropyl)oxolan-2-one
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CAS No:
(3S,5R)-5-[(6R,9R)-6,9-dihydroxy-9-[(2R,5R)-5-[(1R)-1-hydroxypentadecyl]oxolan-2-yl]nonyl]-3-(2-oxopropyl)oxolan-2-one Basic Attributes
596.9 g/mol
596.46520438 g/mol
Computed Properties
Molecular Weight:596.9
XLogP3:8.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:26
Exact Mass:596.46520438
Monoisotopic Mass:596.46520438
Topological Polar Surface Area:113
Heavy Atom Count:42
Complexity:714
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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