(1S,2S,4S,8S,9S,12R,13S,16S,18S)-6-[(3R)-4-acetamido-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-6-en-16-yl acetate
AlkaPlorer ID: AK037367
Synonym: None
IUPAC Name: [(1S,2S,4S,8S,9S,12R,13S,16S,18S)-6-[(3R)-4-acetamido-3-methylbutyl]-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl] acetate
Structure
SMILES: CC(=O)NC[C@H](C)CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O1
InChI: InChI=1S/C31H49NO4/c1-18(17-32-20(3)33)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)34)11-13-30(22,5)25(24)12-14-31(26,29)6/h18,22-26,28-29H,7-17H2,1-6H3,(H,32,33)/t18-,22+,23+,24+,25-,26+,28+,29+,30+,31+/m1/s1
InChIKey: NNRLQJLRICHBII-FWNZIAIVSA-N
Source
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Properties Information
Molecule Weight: 499.7360000000005
TPSA？: 64.63
MolLogP？: 6.412100000000008
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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