| Properties | Image |
|---|
| MNX_ID | MNXM1174916 |
 |
| reference | envipathM:...ec7133b32a05 |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | VQGAJWWXENAOOS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-51(59)64-42(40-62-53(60)44(57)32-24-20-21-27-35-47-50(66-47)39-49-46(65-49)34-6-4-2)41-63-54(61)45(58)33-26-23-25-31-43(56)52-48(67-52)36-28-18-17-22-30-38-55/h8-9,11-12,18,28,42-50,52,55-58H,3-7,10,13-17,19-27,29-41H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-29-37-51(59)64-42(40-62-53(60)44(57)32-24-20-21-27-35-47-50(66-47)39-49-46(65-49)34-6-4-2)41-63-54(61)45(58)33-26-23-25-31-43(56)52-48(67-52)36-28-18-17-22-30-38-55/h8-9,11-12,18,28,42-50,52,55-58H,3-7,10,13-17,19-27,29-41H2,1-2H3/b9-8?,12-11?,28-18?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:29][CH2:37][C:51](=[O:59])[O:64][CH:42]([CH2:40][O:62][C:53]([CH:44]([CH2:32][CH2:24][CH2:20][CH2:21][CH2:27][CH2:35][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:65]2)[O:66]1)[OH:57])=[O:60])[CH2:41][O:63][C:54]([CH:45]([CH2:33][CH2:26][CH2:23][CH2:25][CH2:31][CH:43]([CH:52]1[CH:48]([CH2:36][CH:28]=[CH:18][CH2:17][CH2:22][CH2:30][CH2:38][OH:55])[O:67]1)[OH:56])[OH:58])=[O:61] |
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