1-(3-hydroxy-5-{2-[(1R,2R,4S,8R,9S,12R,16R,17R,18R,19S,24R)-8,12,18,19-tetrahydroxy-8-[(2R,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]-15-oxohexacyclo[15.3.3.1⁴,⁹.0¹,¹⁶.0²,¹³.0¹²,²⁴]tetracosa-5,13-dien-24-yl]ethyl}phenyl)pyrrolidin-2-one
AlkaPlorer ID: AK174820
Synonym: None
IUPAC Name: 1-[3-hydroxy-5-[2-[(1S,2S,4R,8S,9S,12S,16S,17R,18R,19S,24R)-8,12,18,19-tetrahydroxy-8-[(2R,3R)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]-15-oxo-24-hexacyclo[15.3.3.14,9.01,16.02,13.012,24]tetracosa-5,13-dienyl]ethyl]phenyl]pyrrolidin-2-one
Structure
SMILES: CC(C)[C@@H](C)[C@H]1O[C@H]1[C@]1(O)CC=C[C@H]2C[C@@H]3C(=CC(=O)[C@H]4[C@H]5CCC[C@]34C[C@H](O)[C@@H]5O)[C@@]3(O)CC[C@H]1[C@@]23CCC1=CC(O)=CC(N2CCCC2=O)=C1
InChI: InChI=1S/C43H57NO8/c1-23(2)24(3)38-39(52-38)42(50)13-4-7-26-19-30-31(21-32(46)36-29-8-5-12-40(30,36)22-33(47)37(29)49)43(51)15-11-34(42)41(26,43)14-10-25-17-27(20-28(45)18-25)44-16-6-9-35(44)48/h4,7,17-18,20-21,23-24,26,29-30,33-34,36-39,45,47,49-51H,5-6,8-16,19,22H2,1-3H3/t24-,26+,29-,30-,33+,34+,36-,37-,38-,39-,40+,41-,42+,43+/m1/s1
InChIKey: MPZCMPLMAGPGLB-PQZLBSRASA-N
Reference
PubChem CID: 162836347
Source
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Properties Information
Molecule Weight: 715.928
TPSA？: 151.06
MolLogP？: 5.003000000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 9
Activities Information
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