(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol
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![(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/2a77f05be72741e1a82461de47f3a7c1.png "(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol")
(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol
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CAS No:
28282-48-6
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Formula:
C30H48O
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Chemical Name:
(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol
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Synonyms:
Cimicfugenol;28282-48-6;DTXSID30950988;Cycloarta-16,24-dien-3 beta-ol;(3S,5R,9S,10R,13R,14S)-17-((R)-1,5-Dimethyl-hex-4-enyl)-4,4,13,14-tetramethyl-2,3,4,5,6,7,8,11,12,13,14,15-dodecahydro-1H-cyclopropa[9,10]cyclopenta[a]phenanthren-3-ol;9,19-Cyclolanosta-16,24-dien-3-ol;[(1R)-1,5-dimethylhex-4-enyl]-tetramethyl-[?]ol;9,19-Cyclolanosta-7,24-dien-3-ol, (3.beta.)-
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CAS No:
(1S,3R,6S,8R,12S,16S)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-en-6-ol Basic Attributes
424.7 g/mol
424.370516150 g/mol
Computed Properties
Molecular Weight:424.7
XLogP3:8.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:424.370516150
Monoisotopic Mass:424.370516150
Topological Polar Surface Area:20.2
Heavy Atom Count:31
Complexity:814
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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