(9S,27R)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.1³,⁷.1⁹,¹³.1¹⁹,²³.0¹⁷,³⁵.0²⁷,³⁴]hexatriaconta-1(31),3,5,7(36),13,15,17(35),19(34),20,22,29,32-dodecaen-14-ol
AlkaPlorer ID: AK202788
Synonym: None
IUPAC Name: (9S,27R)-4,15,16,21-tetramethoxy-10,26-dimethyl-2,18-dioxa-10,26-diazaheptacyclo[27.2.2.13,7.19,13.119,23.017,35.027,34]hexatriaconta-1(31),3,5,7(36),13(35),14,16,19,21,23(34),29,32-dodecaen-14-ol
Structure
SMILES: COC1=CC2=C3C(=C1)OC1=C(OC)C(OC)=C(O)C4=C1[C@H](CC1=CC=C(OC)C(=C1)OC1=CC=C(C=C1)C[C@H]3N(C)CC2)N(C)CC4
InChI: InChI=1S/C38H42N2O7/c1-39-15-13-24-20-26(42-3)21-32-33(24)28(39)17-22-7-10-25(11-8-22)46-31-19-23(9-12-30(31)43-4)18-29-34-27(14-16-40(29)2)35(41)37(44-5)38(45-6)36(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29+/m1/s1
InChIKey: OEVSFNPOCWGVIK-WDYNHAJCSA-N
Reference
Thalictrum Alkaloids V. Isolation
PubChem CID: 162909659
LOTUS: LTS0262954
SuperNatural Ⅲ: SN0263549-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum fendleri | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7609999999999
TPSA？: 82.09
MolLogP？: 6.868000000000008
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|