| Properties | Image |
|---|
| MNX_ID | MNXM117183 |
 |
| reference | hmdb:HMDB0041184 |
| formula | C62H110O5 |
| global charge | 0 |
| mol weight | 935.557 |
| InChIKey | RHHIAWXSQKGCMB-UHFFFAOYSA-N |
| InChI | InChI=1S/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3 |
| SMILES | C=C(C)C1CCC2(COC(=O)CCCCCCCCCCCCCCC)CCC3(C)C(CCC4C5(C)CC(O)C(OC(=O)CCCCCCCCCCCCCCC)C(C)(C)C5CCC43C)C12 |
MNX internals
| InChI (mnx) | InChI=1/C62H110O5/c1-10-12-14-16-18-20-22-24-26-28-30-32-34-36-54(64)66-47-62-43-40-49(48(3)4)56(62)50-38-39-53-59(7)46-51(63)57(58(5,6)52(59)41-42-61(53,9)60(50,8)44-45-62)67-55(65)37-35-33-31-29-27-25-23-21-19-17-15-13-11-2/h49-53,56-57,63H,3,10-47H2,1-2,4-9H3/t49?,50?,51?,52?,53?,56?,57?,59?,60?,61?,62? |
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| SMILES (mnx) | [CH3:1][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:54](=[O:64])[O:66][CH2:47][C:62]12[CH2:43][CH2:40][CH:49]([C:48](=[CH2:3])[CH3:4])[CH:56]1[CH:50]1[CH2:38][CH2:39][CH:53]3[C:59]4([CH3:7])[CH2:46][CH:51]([OH:63])[CH:57]([O:67][C:55]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH3:2])=[O:65])[C:58]([CH3:5])([CH3:6])[CH:52]4[CH2:41][CH2:42][C:61]3([CH3:9])[C:60]1([CH3:8])[CH2:44][CH2:45]2 |
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