11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
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![11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/32a45cc004bc451594c0973163b86882.png "11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid")
11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
structure -
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CAS No:
173106-18-8
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Formula:
C41H69NO3
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Chemical Name:
11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
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Synonyms:
173106-18-8;Undecanoic acid, 11-((28-oxolup-20(29)-en-28-yl)amino)-;Undecanoic acid, 11-[(28-oxolup-20(29)-en-28-yl)amino]-;DTXSID70938306;N-(3beta-Aminolup-20(29)-en-28-oyl)-11-aminoundecanoic acid;11-{[28-Hydroxylup-20(29)-en-28-ylidene]amino}undecanoic acid;N-[3.beta.-Aminolup-20(29)-en-28-oyl]-11-aminoundecanoic acid;11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid
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CAS No:
11-[[(1R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]undecanoic acid Basic Attributes
624.0 g/mol
623.52774506 g/mol
Computed Properties
Molecular Weight:624.0
XLogP3:12.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:13
Exact Mass:623.52774506
Monoisotopic Mass:623.52774506
Topological Polar Surface Area:66.4
Heavy Atom Count:45
Complexity:1100
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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