16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
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![16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1881b0e65ce744fc8734ea654992aace.png "16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one")
16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
structure -
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CAS No:
77394-03-7
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Formula:
C41H66O12
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Chemical Name:
16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one
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Synonyms:
Bivittoside A;77394-03-7;DTXSID30998608;Lanost-9(11)-en-18-oic acid, 3-((2-O-(6-deoxy-beta-D-glucopyranosyl)-beta-D-xylopyranosyl)oxy)-12,20-dihydroxy-, gamma-lactone, (3beta,12alpha)-;12-Hydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl 2-O-(6-deoxyhexopyranosyl)pentopyranoside
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CAS No:
16-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-10-hydroxy-2,6,13,17,17-pentamethyl-6-(4-methylpentyl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-11-en-8-one Basic Attributes
751.0 g/mol
750.45542754 g/mol
Computed Properties
Molecular Weight:751.0
XLogP3:3.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:8
Exact Mass:750.45542754
Monoisotopic Mass:750.45542754
Topological Polar Surface Area:185
Heavy Atom Count:53
Complexity:1420
Undefined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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