 Home > Encyclopedia > 10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone structure

CAS No:
88426-35-1
Formula:
C39H46N6O11
Chemical Name:
10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
Synonyms:
3-hydroxy-O-desmethylbouvardin;bouvardin catechol;88426-35-1;Bouvardin catechol;3-Hydroxy-O-desmethylbouvardin;ACMC-20l9jz;Bouvardin,3-(3-hydroxy-N-methyl-L-tyrosine)- (9CI);DTXSID701008145;Bouvardin, 3-(3-hydroxy-N-methyl-L-tyrosine)-;10-[(3,4-Dihydroxyphenyl)methyl]-2,5,11,17,24-pentahydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaene

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10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone Basic Attributes

Molecular Weight：

774.8 g/mol

Exact Mass：

774.32245630 g/mol

Characteristics

PSA：

238 Å²

Drug Information

MeSH Entry Terms：

3-hydroxy-O-desmethylbouvardin

Computed Properties

Molecular Weight:774.8
XLogP3:1.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:2
Exact Mass:774.32245630
Monoisotopic Mass:774.32245630
Topological Polar Surface Area:238
Heavy Atom Count:56
Complexity:1460
Undefined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 10-[(3,4-dihydroxyphenyl)methyl]-17,24-dihydroxy-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone

Basic Attributes
Characteristics
Drug Information
Computed Properties

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