(1R,3R,4R,5R,6R,8S,18R,19S)-3-chloro-4-ethenyl-4,9,9,20,20-pentamethyl-5-(methylideneamino)-7-oxa-11-azahexacyclo[14.3.1.0⁵,¹⁹.0⁶,⁸.0¹⁰,¹⁸.0¹²,¹⁷]icosa-10,12(17),13,15-tetraene-18,19-diol
AlkaPlorer ID: AK069924
Synonym: None
IUPAC Name: (1R,3R,4R,5R,6R,8S,18R,19S)-3-chloro-4-ethenyl-4,9,9,20,20-pentamethyl-5-(methylideneamino)-7-oxa-11-azahexacyclo[14.3.1.05,19.06,8.010,18.012,17]icosa-10,12,14,16-tetraene-18,19-diol
Structure
SMILES: C=C[C@@]1(C)[C@H](Cl)C[C@@H]2C(C)(C)C3=CC=CC4=C3[C@@]3(O)C(=N4)C(C)(C)[C@@H]4O[C@@H]4[C@@]1(N=C)[C@@]23O
InChI: InChI=1S/C26H31ClN2O3/c1-8-23(6)16(27)12-15-21(2,3)13-10-9-11-14-17(13)24(30)20(29-14)22(4,5)18-19(32-18)25(23,28-7)26(15,24)31/h8-11,15-16,18-19,30-31H,1,7,12H2,2-6H3/t15-,16-,18-,19+,23+,24-,25+,26-/m1/s1
InChIKey: VDAJARRRXROUOD-QJQSJIDVSA-N
Source
Properties Information
Molecule Weight: 454.9980000000003
TPSA？: 77.71000000000001
MolLogP？: 4.048800000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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