(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
AlkaPlorer ID: AK325045
Synonym: None
IUPAC Name: [(2R,3R,6S,8R,13S,17R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Structure
SMILES: CCN1C[C@]2(COC)CCC(OC)C34C1C(C(OC)[C@@H]32)[C@@]1(OC(C)=O)C[C@H](OC)C2C[C@@H]4[C@@H]1C2OC(=O)C1=CC=C(OC)C=C1
InChI: InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22?,23-,24+,25?,26-,27?,28?,29?,30-,31?,33+,34-,35?/m1/s1
InChIKey: LYUPEIXJYAJCHL-BYOJBDNCSA-N
Source
Properties Information
Molecule Weight: 627.7750000000003
TPSA？: 101.99000000000002
MolLogP？: 3.600200000000004
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
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