(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-(butanoyloxy)-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0⁵,⁷.0¹⁵,²¹.0¹⁶,¹⁸]tetracosa-9,20-dien-8-yl hexanoate
AlkaPlorer ID: AK116650
Synonym: None
IUPAC Name: [(1R,4S,5R,7S,8S,12R,15S,16R,18S,19S)-19-butanoyloxy-2,13-dioxo-6,17-dioxa-23,24-dithia-3,14-diazaoctacyclo[10.10.2.01,14.03,12.04,10.05,7.015,21.016,18]tetracosa-9,20-dien-8-yl] hexanoate
Structure
SMILES: CCCCCC(=O)O[C@H]1C=C2C[C@@]34SS[C@]5(CC6=C[C@H](OC(=O)CCC)[C@@H]7O[C@@H]7[C@H]6N5C3=O)C(=O)N4[C@@H]2[C@H]2O[C@H]21
InChI: InChI=1S/C28H32N2O8S2/c1-3-5-6-8-18(32)36-16-10-14-12-28-26(34)29-19-13(9-15(21-23(19)37-21)35-17(31)7-4-2)11-27(29,39-40-28)25(33)30(28)20(14)24-22(16)38-24/h9-10,15-16,19-24H,3-8,11-12H2,1-2H3/t15-,16-,19-,20-,21-,22-,23+,24+,27+,28+/m0/s1
InChIKey: DNLICDSRATXNKO-FMTJUTPSSA-N
Source
Properties Information
Molecule Weight: 588.7040000000003
TPSA？: 118.28
MolLogP？: 2.6082
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 9
Activities Information
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