14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,?.0¹,¹³.0³,?.0?,¹².0¹?,²?]docosan-21-yl acetate
AlkaPlorer ID: AK028559
Synonym: None
IUPAC Name: [(2R,3R,5S,6S,8R,12R,13R,16R,20R,21S)-14-ethyl-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-yl] acetate
Structure
SMILES: CCN1C[C@]2(C)CCC(OC)C34[C@@H]5C[C@@H]6C(OC)[C@@H]5[C@@]5(C[C@@H]6OC)OCO[C@]5([C@H]13)[C@@H](OC(C)=O)[C@@H]42
InChI: InChI=1S/C27H41NO7/c1-7-28-12-24(3)9-8-18(31-5)26-16-10-15-17(30-4)11-25(19(16)20(15)32-6)27(23(26)28,34-13-33-25)22(21(24)26)35-14(2)29/h15-23H,7-13H2,1-6H3/t15-,16+,17-,18?,19+,20?,21+,22-,23+,24-,25+,26?,27-/m0/s1
InChIKey: OWWYREKLGMILGW-JNAWDUEQSA-N
Source
Properties Information
Molecule Weight: 491.62500000000034
TPSA？: 75.69
MolLogP？: 2.2350000000000003
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 7
Activities Information
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