N''-(2-{9-[2-ethyl-5-oxo-4-(1H-pyrrol-3-yl)oxolan-3-yl]-3,23,24,32,33-pentahydroxy-42-(hydroxymethyl)-39-(4-hydroxyphenyl)-14,21,24,30-tetramethyl-41,44-dioxo-36,37-dithia-43-azanonacyclo[28.13.2.2¹¹,²³.0²,²?.0³,²?.0?,²?.0¹¹,²?.0¹²,¹?.0³?,??]heptatetraconta-1,17-dien-7-yn-26-yl}ethyl)guanidine
AlkaPlorer ID: AK488518
Synonym: None
IUPAC Name: 2-[2-[9-[2-ethyl-5-oxo-4-(1H-pyrrol-3-yl)oxolan-3-yl]-3,23,24,32,33-pentahydroxy-42-(hydroxymethyl)-39-(4-hydroxyphenyl)-14,21,24,30-tetramethyl-41,44-dioxo-36,37-dithia-43-azanonacyclo[28.13.2.211,23.02,29.03,26.05,25.011,20.012,17.034,45]heptatetraconta-1,17-dien-7-yn-26-yl]ethyl]guanidine
Structure
SMILES: CCC1OC(=O)C(C2=CNC=C2)C1C1C#CCC2CC3(O)C4=C5NC(CO)C(=O)CC(C6=CC=C(O)C=C6)CSSCC6C(O)C(O)CC(C)(C4CCC3(CCN=C(N)N)C2C(C)(O)C2(O)CCC3(C1)C1CC(C)CCC1=CCC3C(C)C2)C6C5=O
InChI: InChI=1S/C68H93N5O11S2/c1-6-52-53(54(61(80)84-52)42-19-24-71-32-42)40-8-7-9-41-30-68(83)56-47(63(4)31-51(77)58(78)45-35-86-85-34-43(38-12-15-44(75)16-13-38)27-50(76)49(33-74)73-57(56)59(79)55(45)63)18-20-66(68,23-25-72-62(69)70)60(41)64(5,81)67(82)22-21-65(29-40)46(37(3)28-67)17-14-39-11-10-36(2)26-48(39)65/h12-16,19,24,32,36-37,40-41,43,45-49,51-55,58,60,71,73-75,77-78,81-83H,6,9-11,17-18,20-23,25-31,33-35H2,1-5H3,(H4,69,70,72)
InChIKey: PHIHHNLOVOVDAI-UHFFFAOYSA-N
Reference
Variation in leaf waxes of the Tasmanian Eucalyptus species—I. Subgenus Symphyomyrtus
PubChem CID: 162838839
COCONUT: CNP0099801.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 1220.6499999999994
TPSA？: 294.27000000000004
MolLogP？: 7.556500000000009
Number of H-Donors: 11
Number of H-Acceptors: 15
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|