2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
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2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
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CAS No:
65445-21-8
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Formula:
C23H23NO8
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Chemical Name:
2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione
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Synonyms:
rubrolone;Rubrolone;65445-21-8;BRN 1095666;Ro 21-1660/002;DTXSID10984049;CHEBI:140148;2H-Pyrano(3'',2'':4',5')furo(3',2':6,7)azuleno(2,1-c)pyridine-7,12-dione, 3,4,4a,13a-tetrahydro-3,4,4a,5-tetrahydroxy-2,10-dimethyl-8-propyl-, (2R-(2alpha,3alpha,4alpha,4abeta,13abeta))-;6aH(S)-pyrano(2'',3'':5',4')furo(2',3':5,6)azuleno(2,3-c)pyridine-5,13-dione, 8,9,10,10a-tetrahydro-3,8-dimethyl-1-propyl-9,10,10a,11-tetrahydroxy- (8R,9R,10S,10aR)-;7b,8,9-Trihydroxy-2,10-dimethyl-4-propyl-7b,9,10,11a-tetrahydro-8H-pyrano[3'',2'':4',5']furo[3',2':6,7]azuleno[2,1-c]pyridine-5,7,13(3H)-trione
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CAS No:
2,15,16,17-tetrahydroxy-6,18-dimethyl-8-propyl-19,21-dioxa-7-azapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),2,4(9),5,7,11-hexaene-10,13-dione Basic Attributes
441.4 g/mol
441.14236669 g/mol
Computed Properties
Molecular Weight:441.4
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:441.14236669
Monoisotopic Mass:441.14236669
Topological Polar Surface Area:146
Heavy Atom Count:32
Complexity:983
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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