(1R,2R,4S,5'R,6R,7S,8R,9S,10R,12S,13R,16S)-10,16-dihydroxy-7,9,13-trimethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-5'-carboxylic acid
AlkaPlorer ID: AK075848
Synonym: None
IUPAC Name: (1R,2R,3'R,4S,6R,7S,8R,9S,10R,12S,13R,16S)-10,16-dihydroxy-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-piperidine]-3'-carboxylic acid
Structure
SMILES: C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](C(=O)O)CN2
InChI: InChI=1S/C27H41NO5/c1-14-23-21(33-27(14)9-6-15(13-28-27)24(31)32)11-20-18-5-4-16-10-17(29)7-8-25(16,2)19(18)12-22(30)26(20,23)3/h4,14-15,17-23,28-30H,5-13H2,1-3H3,(H,31,32)/t14-,15+,17-,18+,19-,20+,21-,22+,23-,25-,26+,27+/m0/s1
InChIKey: GPTPCRUWEMJUEE-WQRRYOOFSA-N
Source
Properties Information
Molecule Weight: 459.6270000000003
TPSA？: 99.02
MolLogP？: 3.322400000000001
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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