| Properties | Image |
|---|
| MNX_ID | MNXM1182180 |
 |
| reference | envipathM:...e5a003cfafc7 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | RCVIRIDIPUWVJD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-33-48-49(65-48)39-50-54(66-50)45(57)32-22-19-20-25-37-52(59)62-41-44(63-53(60)38-26-17-13-11-9-8-10-12-15-21-30-42(55)28-5-2)40-61-51(58)36-24-18-14-16-23-34-46-47(64-46)35-27-31-43(56)29-6-3/h27,31,42-50,54-57H,4-26,28-30,32-41H2,1-3H3 |
| SMILES | CCCCC1OC1CC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)OC(=O)CCCCCCCCCCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-33-48-49(65-48)39-50-54(66-50)45(57)32-22-19-20-25-37-52(59)62-41-44(63-53(60)38-26-17-13-11-9-8-10-12-15-21-30-42(55)28-5-2)40-61-51(58)36-24-18-14-16-23-34-46-47(64-46)35-27-31-43(56)29-6-3/h27,31,42-50,54-57H,4-26,28-30,32-41H2,1-3H3/b31-27?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:54]([CH:45]([CH2:32][CH2:22][CH2:19][CH2:20][CH2:25][CH2:37][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:40][O:61][C:51]([CH2:36][CH2:24][CH2:18][CH2:14][CH2:16][CH2:23][CH2:34][CH:46]3[CH:47]([CH2:35][CH:27]=[CH:31][CH:43]([CH2:29][CH2:6][CH3:3])[OH:56])[O:64]3)=[O:58])[O:63][C:53]([CH2:38][CH2:26][CH2:17][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:15][CH2:21][CH2:30][CH:42]([CH2:28][CH2:5][CH3:2])[OH:55])=[O:60])[OH:57])[O:66]2)[O:65]1 |
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