| Properties | Image |
|---|
| MNX_ID | MNXM1173414 |
 |
| reference | envipathM:...3c4851744ea4 |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | VUKXRERHEMDGPQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-51(59)63-42(40-61-50(58)37-30-25-23-26-33-44(56)52-47(65-52)36-29-20-10-8-5-2)41-62-54(60)45(57)34-27-22-24-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h11-12,14-15,20,29,42,44,46-49,52-53,56H,4-10,13,16-19,21-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1CC=CCCCC)COC(=O)C(=O)CCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-51(59)63-42(40-61-50(58)37-30-25-23-26-33-44(56)52-47(65-52)36-29-20-10-8-5-2)41-62-54(60)45(57)34-27-22-24-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h11-12,14-15,20,29,42,44,46-49,52-53,56H,4-10,13,16-19,21-28,30-41H2,1-3H3/b12-11?,15-14?,29-20?/t42?,44?,46?,47?,48?,49?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:31][CH2:38][C:51](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:50]([CH2:37][CH2:30][CH2:25][CH2:23][CH2:26][CH2:33][CH:44]([CH:52]1[CH:47]([CH2:36][CH:29]=[CH:20][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:56])=[O:58])[CH2:41][O:62][C:54]([C:45]([CH2:34][CH2:27][CH2:22][CH2:24][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:39][CH:49]2[CH:53]([C:43]([CH2:32][CH2:6][CH3:3])=[O:55])[O:66]2)[O:64]1)=[O:57])=[O:60] |
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