[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
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![[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aebc8b47943749f2a28a9ce928f79423.png "[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate")
[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
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CAS No:
122249-95-0
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Formula:
C46H80O4
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Chemical Name:
[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
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Synonyms:
O-palmityllongispinogenin;122249-95-0;O-Palmityllongispinogenin;DTXSID50924121;16,28-Dihydroxyolean-12-en-3-yl hexadecanoate;Olean-12-ene-3,16,28-triol, 3-hexadecanoate, (3beta,16beta)-
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CAS No:
[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate Basic Attributes
697.1 g/mol
696.60566103 g/mol
Computed Properties
Molecular Weight:697.1
XLogP3:14.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:17
Exact Mass:696.60566103
Monoisotopic Mass:696.60566103
Topological Polar Surface Area:66.8
Heavy Atom Count:50
Complexity:1170
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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