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(1R,4S,7S,10S,13R,16R)-17,24-Dihydroxy-10-[(4-methoxyphenyl)methyl]-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

HCID 73624
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Basic information

CAS
64755-14-2
Standard SMILES
COc1ccc(C[C@H]2C(=O)N[C@H](C)C(=O)N(C)[C@H]3C(=O)N(C)[C@H](Cc4ccc(O)c(c4)Oc4ccc(cc4)C3O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N2C)cc1
InChIKey
TWOWSRSKGJSZHZ-ZRCCEHQSSA-N
Molecular formula
C40H48N6O10
Average molar mass
772.8 g/mol
Monoisotopic mass
772.34319175

Names & identifiers

Preferred name
(1R,4S,7S,10S,13R,16R)-17,24-Dihydroxy-10-[(4-methoxyphenyl)methyl]-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
IUPAC
(1R,4S,7S,10S,13R,16R)-17,24-dihydroxy-10-[(4-methoxyphenyl)methyl]-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

Names & synonyms

dihydroxy-[(4-methoxyphenyl)methyl]-hexamethyl-[?]hexone(1R,4S,7S,10S,13R,16R)-17,24-Dihydroxy-10-[(4-methoxyphenyl)methyl]-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

Database identifiers

CAS
64755-14-2
PubChem CID
73624

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
207 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
10
Rotatable bonds
3
Heavy atoms
56
Formal charge
0
Complexity
1,430

Related reactions

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