4-[(1R,3R,4R,5R,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,35R)-4,11-dihydroxy-5,11,23,24,35-pentamethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1¹,³³.1³,⁷.1⁷,¹⁰.1¹⁰,¹⁴.0²⁰,²⁶.0²⁶,³¹]hentetraconta-20,29-dien-29-yl]-4-oxobutanoic acid
AlkaPlorer ID: AK073629
Synonym: None
IUPAC Name: 4-[(1R,3R,4R,5R,7S,10S,11S,14R,23S,24R,26S,31R,32R,33S,35R)-4,11-dihydroxy-5,11,23,24,35-pentamethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-dien-29-yl]-4-oxobutanoic acid
Structure
SMILES: C=C1CCCC2=NC[C@@H](C)[C@H](C)C[C@]23CCC(C(=O)CCC(=O)O)=C[C@H]3[C@H]2O[C@]3(C[C@H](C)C[C@@H]2O3)C[C@H]2O[C@]3(CC[C@]4(O[C@H](CC[C@]4(C)O)C1)O3)C[C@@H](C)[C@H]2O
InChI: InChI=1S/C45H67NO10/c1-26-8-7-9-37-42(22-28(3)30(5)25-46-37)15-12-31(34(47)10-11-38(48)49)20-33(42)40-35-19-27(2)21-44(53-35,55-40)24-36-39(50)29(4)23-43(54-36)16-17-45(56-43)41(6,51)14-13-32(18-26)52-45/h20,27-30,32-33,35-36,39-40,50-51H,1,7-19,21-25H2,2-6H3,(H,48,49)/t27-,28-,29-,30-,32-,33+,35+,36-,39-,40-,41+,42+,43+,44-,45+/m1/s1
InChIKey: MRPUCWZEBLNKPU-LZFPAUDISA-N
Source
Properties Information
Molecule Weight: 782.0279999999999
TPSA？: 153.34
MolLogP？: 7.20940000000001
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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