3-Epidehydropachymic acid phthalimidomethyl ester
AlkaPlorer ID: AK029865
Synonym: ''
IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoate
Structure
SMILES: C=C(CC[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C
InChI: InChI=1S/C42H55NO7/c1-24(2)25(3)14-15-29(38(48)49-23-43-36(46)27-12-10-11-13-28(27)37(43)47)35-32(45)22-42(9)31-16-17-33-39(5,6)34(50-26(4)44)19-20-40(33,7)30(31)18-21-41(35,42)8/h10-13,16,18,24,29,32-35,45H,3,14-15,17,19-23H2,1-2,4-9H3/t29-,32-,33+,34-,35+,40-,41-,42+/m1/s1
InChIKey: AEIODDCOGPFVEZ-OMMDDGHJSA-N
Reference
Isolation of lanostane-type triterpene acids having an acetoxyl group from sclerotia of Poria cocos
PubChem CID: 15226718
LOTUS: LTS0131029
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Wolfiporia cocos | Wolfiporia | Phaeolaceae | Polyporales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 685.9019999999999
TPSA？: 110.21
MolLogP？: 7.81970000000001
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|