1-{[(1R,2R,6S,7R,10S,11R,16S,17S)-6-cyclopentyl-14-[(2R,4R)-4-[(2R)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-17-hydroxy-2,6,10,11-tetramethyl-5,13-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-14-en-16-yl]methyl}-3-{[3-methyl-5-(oxan-4-yl)phenyl]methyl}
AlkaPlorer ID: AK365450
Synonym: None
IUPAC Name: None
Structure
SMILES: CC1=CC(C2CCOCC2)=CC(CC2=C[N+](C[C@@H]3C4=C([C@H](C)C[C@@H](O)[C@H]5OC5(C)C)C(=O)C[C@]4(C)[C@@]4(C)CC[C@@H]5[C@@](C)(CCC(=O)[C@@]5(C)C5CCCC5)[C@H]4[C@@H]3O)=C3C=CN=C23)=C1
InChI: InChI=1S/C54H73N2O6/c1-31-23-33(26-35(24-31)34-16-21-61-22-17-34)27-36-29-56(39-15-20-55-46(36)39)30-38-45-44(32(2)25-40(57)49-50(3,4)62-49)41(58)28-53(45,7)52(6)19-13-42-51(5,48(52)47(38)60)18-14-43(59)54(42,8)37-11-9-10-12-37/h15,20,23-24,26,29,32,34,37-38,40,42,47-49,57,60H,9-14,16-19,21-22,25,27-28,30H2,1-8H3/q+1/t32-,38-,40-,42-,47-,48-,49-,51-,52+,53+,54+/m1/s1
InChIKey: DHYJVNKEPTWUGD-CLHISNBBSA-N
Reference
SuperNatural Ⅲ: SN0066221-01
Source
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Properties Information
Molecule Weight: 846.1859999999997
TPSA？: 111.73
MolLogP？: 9.179920000000005
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 10
Activities Information
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