| Properties | Image |
|---|
| MNX_ID | MNXM737120 |
 |
| reference | metacycM:CPD-19254 |
| formula | C50H72O2 |
| global charge | 0 |
| mol weight | 705.124 |
| InChIKey | FMUTWECJHLYSSS-DXAMSVBWSA-N |
| InChI | InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-28,33-34,45-48,51-52H,29-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+ |
| SMILES | CC1=CCC(C/C=C(\C)CO)C(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CCC(C/C=C(\C)CO)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-28,33-34,45-48,51-52H,29-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45?,46?,47?,48? |
 |
| SMILES (mnx) | [CH3:1][C:37](=[CH:17]\[CH:13]=[CH:14]\[CH:18]=[C:38]([CH3:2])\[CH:20]=[CH:16]\[CH:22]=[C:40]([CH3:4])\[CH:26]=[CH:34]\[CH:48]1[C:44]([CH3:8])=[CH:28][CH2:32][CH:46]([CH2:30]/[CH:24]=[C:42](\[CH3:6])[CH2:36][OH:52])[C:50]1([CH3:11])[CH3:12])/[CH:19]=[CH:15]/[CH:21]=[C:39]([CH3:3])/[CH:25]=[CH:33]/[CH:47]1[C:43]([CH3:7])=[CH:27][CH2:31][CH:45]([CH2:29]/[CH:23]=[C:41](\[CH3:5])[CH2:35][OH:51])[C:49]1([CH3:9])[CH3:10] |
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