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126456-06-2 | 4,6-Decadienoic acid, 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-, (2S,3S,4E,6E,8S,9S)-
CAS No: 126456-06-2 Catalog No: AG000ST7 MDL No:
Product Description
Catalog Number:
AG000ST7
Chemical Name:
4,6-Decadienoic acid, 3-amino-9-methoxy-2,6,8-trimethyl-10-phenyl-, (2S,3S,4E,6E,8S,9S)-
CAS Number:
126456-06-2
Molecular Formula:
C20H29NO3
Molecular Weight:
331.4492
IUPAC Name:
3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid
InChI:
InChI=1S/C20H29NO3/c1-14(10-11-18(21)16(3)20(22)23)12-15(2)19(24-4)13-17-8-6-5-7-9-17/h5-12,15-16,18-19H,13,21H2,1-4H3,(H,22,23)
InChI Key:
HJVCHYDYCYBBQX-UHFFFAOYSA-N
SMILES:
CO[C@H]([C@H](/C=C(/C=C/[C@@H]([C@@H](C(=O)O)C)N)\C)C)Cc1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.215g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.456g/mol
Monoisotopic Mass:
331.215g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Natural products from the Lithistida: a review of the literature since 2000. | Marine drugs 20111201 |
| Characteristics of a Microcystin-Degrading Bacterium under Alkaline Environmental Conditions. | Journal of toxicology 20090101 |
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