(3R,4R,5S,8R,9S,10R)-3,9-dihydroxy-10-[(2S,3R,9R,10R,11R)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundecan-5-yl (2E)-3-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]prop-2-enoa
AlkaPlorer ID: AK089913
Synonym: None
IUPAC Name: [(3R,4R,5S,8R,9S,10R)-3,9-dihydroxy-10-[(2S,3R,4E,6E,9R,10R,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]-2,4,8-trimethyl-7-oxoundecan-5-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Structure
SMILES: CO/C1=C\C(C)=C\[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H](OC)[C@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)C[C@H](OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)[C@H](C)[C@H](O)C(C)C)OC1=O
InChI: InChI=1S/C44H65NO13/c1-23(2)40(51)29(8)35(57-38(50)18-17-37(49)45-39-31(46)15-16-32(39)47)22-33(48)28(7)42(53)30(9)43-34(55-10)14-12-13-24(3)19-26(5)41(52)27(6)20-25(4)21-36(56-11)44(54)58-43/h12-14,17-18,20-21,23,26-30,34-35,40-43,46,51-53H,15-16,19,22H2,1-11H3,(H,45,49)/b14-12+,18-17+,24-13+,25-20+,36-21-/t26-,27-,28+,29+,30-,34-,35+,40-,41-,42-,43+/m1/s1
InChIKey: RPBALHQFWPCWRG-ATIXXGFVSA-N
Source
Properties Information
Molecule Weight: 815.9980000000002
TPSA？: 215.22
MolLogP？: 4.891100000000003
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 2
Activities Information
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