(7R,8S,10R)-10-{[(2R,4R,5S,6R)-5-{[(1R,3S,5R,8S,10S,12S,14R)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.0³,⁸]tetradecan-12-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5S,6R)-4-(dimethylamino)-5-{[(2R,5R,6S)-5-{[(2R,5R,6S)-5-hydrox
AlkaPlorer ID: AK331966
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@]1(O)C[C@@H](O[C@H]2C[C@@H](N(C)C)[C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@@H](C)O[C@@H]5O[C@@H]4[C@@H](C)O3)[C@@H](C)O2)C2=C(O)C3=C(C(=O)C4=CC=CC(O)=C4C3=O)C(O)=C2[C@H]1O[C@H]1C[C@@H](N(C)C)[C@H](O[C@@H]2CC[C@@H](O[C@@H]3CC[C@@H](O)[C@H](C)O3)[C@H](C)O2)[C@@H](C)O1
InChI: InChI=1S/C60H84N2O21/c1-12-60(70)24-40(79-43-20-32(61(8)9)56(29(6)73-43)81-45-23-38-57(30(7)75-45)83-59-39(77-38)22-36(65)26(3)76-59)47-50(54(69)48-49(53(47)68)52(67)46-31(51(48)66)14-13-15-35(46)64)58(60)82-44-21-33(62(10)11)55(28(5)74-44)80-42-19-17-37(27(4)72-42)78-41-18-16-34(63)25(2)71-41/h13-15,25-30,32-34,37-45,55-59,63-64,68-70H,12,16-24H2,1-11H3/t25-,26+,27-,28+,29+,30+,32+,33+,34+,37+,38-,39-,40+,41+,42+,43-,44-,45-,55+,56+,57+,58+,59+,60-/m0/s1
InChIKey: AIFGWWMAHJTOFK-AHLXMBKCSA-N
Reference
Essential Oil of<i>Eryngium</i>L. Species from New South Wales (Australia)
SuperNatural Ⅲ: SN0006337-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 1169.3249999999996
TPSA?: 278.83000000000004
MolLogP?: 4.927200000000008
Number of H-Donors: 5
Number of H-Acceptors: 23
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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