| Properties | Image |
|---|
| MNX_ID | MNXM1185504 |
 |
| reference | envipathM:...58584ef3849a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | UXUYOLAXGQCHEN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-51(60)63-42(41-62-50(59)37-30-25-23-28-34-45(57)54-53(66-54)44(56)33-26-11-8-5-2)40-61-49(58)36-29-24-22-27-32-43(55)52-48(65-52)39-47-46(64-47)35-9-6-3/h12-13,15-16,42-48,52-57H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1C(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-51(60)63-42(41-62-50(59)37-30-25-23-28-34-45(57)54-53(66-54)44(56)33-26-11-8-5-2)40-61-49(58)36-29-24-22-27-32-43(55)52-48(65-52)39-47-46(64-47)35-9-6-3/h12-13,15-16,42-48,52-57H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:31][CH2:38][C:51](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:49]([CH2:36][CH2:29][CH2:24][CH2:22][CH2:27][CH2:32][CH:43]([CH:52]1[CH:48]([CH2:39][CH:47]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)[OH:55])=[O:58])[CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:25][CH2:23][CH2:28][CH2:34][CH:45]([CH:54]1[CH:53]([CH:44]([CH2:33][CH2:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:66]1)[OH:57])=[O:59] |
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