(7aS)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate
AlkaPlorer ID: AK108856
Synonym: None
IUPAC Name: [(8S)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylpentanoate
Structure
SMILES: CC[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@@H]12)[C@H](C)O
InChI: InChI=1S/C16H27NO4/c1-4-11(2)16(20,12(3)18)15(19)21-10-13-7-9-17-8-5-6-14(13)17/h7,11-12,14,18,20H,4-6,8-10H2,1-3H3/t11-,12-,14-,16-/m0/s1
InChIKey: WNDKUMUAOQFAGL-DUPGQFARSA-N
Reference
Pyrrolizidine alkaloids of Heliotropium spathulatum
PubChem CID: 162968090
LOTUS: LTS0217538
SuperNatural Ⅲ: SN0414727-02
NPASS: NPC268391
Source
Properties Information
Molecule Weight: 297.3949999999999
TPSA?: 70.0
MolLogP?: 1.0920000000000003
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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