(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
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![(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/badbe1ca59fa496785b149e08cb2992b.png "(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol")
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
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CAS No:
114906-01-3
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Formula:
C30H48O3
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Chemical Name:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
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Synonyms:
oleanderol;114906-01-3;SCHEMBL4668413;DTXSID90921538;(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol;Lupa-12,20(29)-diene-3,27,28-triol
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CAS No:
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-3a,5a-bis(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysen-9-ol Basic Attributes
456.7 g/mol
456.36034539 g/mol
Computed Properties
Molecular Weight:456.7
XLogP3:5.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:456.36034539
Monoisotopic Mass:456.36034539
Topological Polar Surface Area:60.7
Heavy Atom Count:33
Complexity:859
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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