9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid
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![9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/826b4cf435f44f838357327163202107.png "9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid")
9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid
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CAS No:
71980-98-8
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Formula:
C26H44O8
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Chemical Name:
9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid
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Synonyms:
9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid;Pseudomonic acid C
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CAS No:
9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid Basic Attributes
484.62276
484.304
O6M926DF2R
Characteristics
134
3.7
1.125±0.06 g/cm3(Predicted)
656.193ºC at 760 mmHg
210.281ºC
1.516
D25 +7.64° (c = 0.78 in chloroform)
Computed Properties
Molecular Weight:484.6
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:17
Exact Mass:484.30361836
Monoisotopic Mass:484.30361836
Topological Polar Surface Area:134
Heavy Atom Count:34
Complexity:659
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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9-[[(2E)-4-[[(2S,3R,4R,5S)-3α,4α-Dihydroxy-5β-[(2E,4S,5S)-5-hydroxy-4-methyl-2-hexenyl]tetrahydro-2H-pyran]-2β-yl]-3-methyl-2-butenoyl]oxy]nonanoic acid
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