| Properties | Image |
|---|
| MNX_ID | MNXM1191641 |
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| reference | envipathM:...572f4ec4e6ef |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | YXPZWIOBHADMOX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(57)63-42(40-61-53(59)43(55)33-27-23-25-30-37-46-45(64-46)36-29-21-11-8-5-2)41-62-54(60)44(56)34-28-24-26-31-38-48-52(66-48)50(58)51-47(65-51)35-9-6-3/h12-13,15-16,42-48,50-52,55-56,58H,4-11,14,17-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CCCCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-32-39-49(57)63-42(40-61-53(59)43(55)33-27-23-25-30-37-46-45(64-46)36-29-21-11-8-5-2)41-62-54(60)44(56)34-28-24-26-31-38-48-52(66-48)50(58)51-47(65-51)35-9-6-3/h12-13,15-16,42-48,50-52,55-56,58H,4-11,14,17-41H2,1-3H3/b13-12?,16-15?/t42?,43?,44?,45?,46?,47?,48?,50?,51?,52? |
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| 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][CH2:22][CH2:32][CH2:39][C:49](=[O:57])[O:63][CH:42]([CH2:40][O:61][C:53]([CH:43]([CH2:33][CH2:27][CH2:23][CH2:25][CH2:30][CH2:37][CH:46]1[CH:45]([CH2:36][CH2:29][CH2:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)[OH:55])=[O:59])[CH2:41][O:62][C:54]([CH:44]([CH2:34][CH2:28][CH2:24][CH2:26][CH2:31][CH2:38][CH:48]1[CH:52]([CH:50]([CH:51]2[CH:47]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:58])[O:66]1)[OH:56])=[O:60] |
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