Jatrophane 1
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Jatrophane 1
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CAS No:
210108-85-3
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Formula:
C36H45NO13
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Chemical Name:
Jatrophane 1
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Synonyms:
Jatrophane 1;Jatrophane I
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CAS No:
Description
2alpha,3beta,5alpha,7beta,15beta-pentaacetoxy-9alpha-nicotinoyloxyjatropha-6(17),11-dien-14-one is a diterpenoid. It has a role as a metabolite.
Computed Properties
Molecular Weight:699.7
XLogP3:3.4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:699.28909049
Monoisotopic Mass:699.28909049
Topological Polar Surface Area:188
Heavy Atom Count:50
Complexity:1420
Defined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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