(1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidin]-18-ene-3',16-diol
AlkaPlorer ID: AK103930
Synonym: None
IUPAC Name: (1S,2S,3'S,4S,5'R,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-3',16-diol
Structure
SMILES: C[C@H]1CN[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1
InChI: InChI=1S/C27H43NO3/c1-15-11-23(30)27(28-14-15)16(2)24-22(31-27)13-21-19-6-5-17-12-18(29)7-9-25(17,3)20(19)8-10-26(21,24)4/h5,15-16,18-24,28-30H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,23+,24+,25+,26+,27+/m1/s1
InChIKey: HZPCRABPAIYDCJ-UTYDWDMVSA-N
Reference
Steroidal alkaloid glycosides from Solanum uporo
PubChem CID: 10938908
LOTUS: LTS0011201
SuperNatural Ⅲ: SN0139758-02
NPASS: NPC143010
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Quercus petraea | Quercus | Fagaceae | Fagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Methylomonas methanica | Methylomonas | Methylococcaceae | Methylococcales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 429.6450000000002
TPSA？: 61.72
MolLogP？: 4.257700000000004
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|