(21S23S)-Epoxy-21α-methoxy-7α24S25-trihydroxy- 4α4β8β10β-tetramethyl-25-dimethyl-1418-cyclo-5α13 α- 14 α17α-cholestan-3β-N-methylanthranilic acid ester
AlkaPlorer ID: AK037839
Synonym: '321-Di-epi-feroniellide B'
IUPAC Name: [(1S,2R,3R,5R,7S,10S,11R,14R,15S)-15-[(2S,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-3-hydroxy-2,6,6,10-tetramethyl-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] 2-(methylamino)benzoate
Structure
SMILES: CNC1=CC=CC=C1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@H]4C[C@H]([C@H](O)C(C)(C)O)O[C@@H]4OC)[C@]3(C)[C@H](O)C[C@H]2C1(C)C
InChI: InChI=1S/C39H59NO7/c1-34(2)28-20-29(41)37(6)27(36(28,5)16-15-30(34)47-32(43)22-11-9-10-12-25(22)40-7)14-17-38-21-39(37,38)18-13-24(38)23-19-26(46-33(23)45-8)31(42)35(3,4)44/h9-12,23-24,26-31,33,40-42,44H,13-21H2,1-8H3/t23-,24+,26-,27-,28+,29-,30+,31+,33+,36-,37+,38-,39-/m1/s1
InChIKey: YERUMUXLLQMXCB-VDEPKVNESA-N
Reference
Triterpenoid Constituents of <i>Raulinoa echinata</i>
PubChem CID: 162851406
LOTUS: LTS0232525
SuperNatural Ⅲ: SN0448355-04
NPASS: NPC36035
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Santolina chamaecyparissus | Santolina | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Raulinoa echinata | Raulinoa | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Thesium chinense | Thesium | Thesiaceae | Santalales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 653.9010000000002
TPSA？: 117.48000000000002
MolLogP？: 6.173000000000008
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|