(1S,2S,4R,5S,6R,7R,10S,11S,12R,14R,15R,17S)-6-(acetyloxy)-14-[(2E)-4-carbamoylbut-2-en-2-yl]-4,12,17-trihydroxy-2,15-dimethyl-16-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl (3S)-3-hydroxypentanoate
AlkaPlorer ID: AK084227
Synonym: None
IUPAC Name: [(2R,3S,4R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-4-acetyloxy-17-[(E)-5-amino-5-oxopent-2-en-2-yl]-2,11,15-trihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] (3S)-3-hydroxypentanoate
Structure
SMILES: CC[C@H](O)CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H]2CC[C@@H]3[C@H]([C@H](O)C(=O)[C@@]4(C)[C@H]3[C@H](O)C[C@@H]4/C(C)=C/CC(=N)O)[C@@]2(C)C[C@H]1O
InChI: InChI=1S/C31H47NO10/c1-6-16(34)11-23(38)42-28-21(36)13-30(4)18(27(28)41-15(3)33)9-8-17-24-20(35)12-19(14(2)7-10-22(32)37)31(24,5)29(40)26(39)25(17)30/h7,16-21,24-28,34-36,39H,6,8-13H2,1-5H3,(H2,32,37)/b14-7+/t16-,17-,18-,19+,20+,21+,24+,25+,26-,27+,28-,30-,31+/m0/s1
InChIKey: GZSSPNHSNCDCBT-OEWWCOPMSA-N
Source
Properties Information
Molecule Weight: 593.7140000000002
TPSA？: 194.67
MolLogP？: 2.2227699999999992
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 4
Activities Information
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