UNPD94558
AlkaPlorer ID: AK325369
Synonym: None
IUPAC Name: (1R,4Z,6R,7S,14S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Structure
SMILES: C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([O-])CC[C@@H](OC1=O)[C@@H]23
InChI: InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1
InChIKey: IDIMIWQPUHURPV-BJODLBMNSA-N
Reference
Seco-eremophilanes and other constituents from South African Senecio species
PubChem CID: 76972338
LOTUS: LTS0153932
SuperNatural Ⅲ: SN0142562-03
NPASS: NPC84644
Source
Properties Information
Molecule Weight: 367.39800000000014
TPSA？: 116.12
MolLogP？: 0.1777999999999997
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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