[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate
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![[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/38399954843749c2999503ddb2d8d3f2.png "[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate")
[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate
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CAS No:
65714-77-4
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Formula:
C21H28O6
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Chemical Name:
[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate
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Synonyms:
65714-77-4;ROYLEANONE-7A-FORMYLOXY-6B-HYDROXY-ERU 701;NSC337581;1,4-Phenanthrenedione, 10-(formyloxy)-4b,5,6,7,8,8a,9,10-octahydro-3,9-dihydroxy-4b,8,8-trimethyl-2-(1-methylethyl)-, (4bS,8aS,9S,10S)-;ERU 701;NSC 337581;SCHEMBL14303934;ZINC5882005;[(4aS,9S,10S,10aS)-6,10-dihydroxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate
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CAS No:
[(4aS,9S,10S,10aS)-8,10-dihydroxy-1,1,4a-trimethyl-5,6-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] formate Basic Attributes
376.4 g/mol
376.18858861 g/mol
Computed Properties
Molecular Weight:376.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:376.18858861
Monoisotopic Mass:376.18858861
Topological Polar Surface Area:101
Heavy Atom Count:27
Complexity:772
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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