methyl (1S,3aS,4R,5S,7S,7aR)-1-benzyl-5-hydroxy-4-[(E,4S)-6-hydroxy-4,6-dimethyl-5,8-dioxooct-1-enyl]-7-methyl-6-methylidene-3-oxo-1,2,4,5,7,7a-hexahydroisoindole-3a-carboxylate
AlkaPlorer ID: AK091917
Synonym: None
IUPAC Name: methyl (1S,3aS,4R,5S,7S,7aR)-1-benzyl-5-hydroxy-4-[(E,4S)-6-hydroxy-4,6-dimethyl-5,8-dioxooct-1-enyl]-7-methyl-6-methylidene-3-oxo-1,2,4,5,7,7a-hexahydroisoindole-3a-carboxylate
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@@]2(C(=O)OC)[C@@H](/C=C/C[C@H](C)C(=O)C(C)(O)CC=O)[C@@H]1O
InChI: InChI=1S/C29H37NO7/c1-17(25(33)28(4,36)14-15-31)10-9-13-21-24(32)19(3)18(2)23-22(16-20-11-7-6-8-12-20)30-26(34)29(21,23)27(35)37-5/h6-9,11-13,15,17-18,21-24,32,36H,3,10,14,16H2,1-2,4-5H3,(H,30,34)/b13-9+/t17-,18+,21-,22-,23-,24+,28?,29+/m0/s1
InChIKey: FNFGHZWCGLTKCG-UKDBMQGKSA-N
Reference
PubChem CID: 163108665
Source
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Properties Information
Molecule Weight: 511.6150000000003
TPSA？: 130.0
MolLogP？: 2.1776000000000004
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 3
Activities Information
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