(15'Z,26'Z)-11'-ethyl-36'-[2-hydroxy-2-(3-hydroxypropoxy)ethyl]-18'-[(4-hydroxy-3-methoxyphenyl)methyl]-7'-(3-hydroxypropyl)-27'-(methylamino)-38'-[(methylamino)methyl]-31',39'-dioxa-26',28'-diazaspiro[cyclohexane-1,34'-octacyclo[27.12.1.1³?,³?.0²,?.0²,¹?.0?,¹³.0¹?,²².0³?,??]tritetracontane]-1'(41'),15',26',29'(42'),30'(40')-pentaen-24',32'-diyn-17'-one
AlkaPlorer ID: AK190574
Synonym: None
IUPAC Name: (2R,6S,7R,8S,11R,13R,14R,15E,18S,22R,35R,36S,38R)-11-ethyl-36-[(2R)-2-hydroxy-2-(3-hydroxypropoxy)ethyl]-18-[(4-hydroxy-3-methoxyphenyl)methyl]-7-(3-hydroxypropyl)-38-(methylaminomethyl)-27-methyliminospiro[31,39-dioxa-26,28-diazaoctacyclo[27.12.1.135,38.02,6.02,14.08,13.018,22.030,40]tritetraconta-1(42),15,29,40-tetraen-24,32-diyne-34,1'-cyclohexane]-17-one
Structure
SMILES: CC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1/C=C/C(=O)[C@]3(CC4=CC=C(O)C(OC)=C4)CCC[C@@H]3CC#CN=C(NC)NC3=CC(=CC4=C3OC#CC3(CCCCC3)[C@@H]3C[C@@](CNC)(C[C@H]3C[C@H](O)OCCCO)O4)[C@@]13CCC[C@H]3[C@@H]2CCCO
InChI: InChI=1S/C65H90N4O9/c1-5-43-18-20-48-49(16-12-30-70)51-17-10-27-65(51)47-37-54(60-57(38-47)78-63(42-66-2)40-45(36-59(74)76-32-13-31-71)53(41-63)62(28-33-77-60)24-7-6-8-25-62)69-61(67-3)68-29-11-15-46-14-9-26-64(46,58(73)23-21-52(65)50(48)34-43)39-44-19-22-55(72)56(35-44)75-4/h19,21-23,35,37-38,43,45-46,48-53,59,66,70-72,74H,5-10,12-18,20,24-27,30-32,34,36,39-42H2,1-4H3,(H2,67,68,69)/b23-21+/t43-,45-,46-,48+,49-,50-,51+,52-,53-,59-,63-,64+,65-/m1/s1
InChIKey: BNETUPMFGUWHBZ-CCQJGIDZSA-N
Reference
Constituents of the Leaves of<i>Macaranga</i><i>t</i><i>anarius</i>
PubChem CID: 162832833
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 1071.4539999999995
TPSA？: 183.36
MolLogP？: 10.180599999999991
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 10
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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