(1S)-1-[(1R,2R,5R,10S,11R,14S,15S,16R)-16-(acetyloxy)-5,10,11,14-tetrahydroxy-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]ethyl pyridine-2-carboxylate
AlkaPlorer ID: AK412392
Synonym: None
IUPAC Name: 1-(12-acetyloxy-3,8,14,17-tetrahydroxy-10-methyl-2,3,4,7,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl pyridine-2-carboxylate
Structure
SMILES: CC(=O)OC1CC2C3(C)CCC(O)CC3=CCC2(O)C2(O)CCC(O)(C(C)OC(=O)C3=CC=CC=N3)C12
InChI: InChI=1S/C28H37NO8/c1-16(36-24(32)20-6-4-5-13-29-20)26(33)11-12-28(35)23(26)21(37-17(2)30)15-22-25(3)9-8-19(31)14-18(25)7-10-27(22,28)34/h4-7,13,16,19,21-23,31,33-35H,8-12,14-15H2,1-3H3
InChIKey: IMMUOVQSDSHLHH-UHFFFAOYSA-N
Reference
Steroidal alkaloids of Marsdenia rostrata. III. Rostratine and dihydrorostratine
PubChem CID: 162933805
LOTUS: LTS0156497
COCONUT: CNP0203816.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 515.6030000000003
TPSA？: 146.41000000000005
MolLogP？: 2.063
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|