2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
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![2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cd23261aefc8464ea6e8d9a1044e0977.png "2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid")
2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
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CAS No:
102818-56-4
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Formula:
C30H48O3
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Chemical Name:
2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid
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Synonyms:
missourin;DTXSID20908054;102818-56-4;6-Hydroxyhop-22(30)-en-29-oic acid
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CAS No:
2-[(3aS,5aR,5bR,7S,7aS,11aR,11bR,13aR,13bS)-7-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]prop-2-enoic acid Basic Attributes
456.7 g/mol
456.36034539 g/mol
Computed Properties
Molecular Weight:456.7
XLogP3:8.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:57.5
Heavy Atom Count:33
Complexity:861
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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