| Properties | Image |
|---|
| MNX_ID | MNXM1188083 |
 |
| reference | envipathM:...1c42c7c7adcc |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | XAUACVCJLQZDMF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-17-26-35-45-46(64-45)36-27-19-16-21-28-37-48(57)61-40-43(63-50(59)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-62-49(58)38-29-23-22-25-33-44(56)52-54(66-52)51(60)53-47(65-53)34-8-5-2/h12,14,17,26,42-47,51-56,60H,4-11,13,15-16,18-25,27-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-17-26-35-45-46(64-45)36-27-19-16-21-28-37-48(57)61-40-43(63-50(59)39-30-20-15-13-11-10-12-14-18-24-32-42(55)31-6-3)41-62-49(58)38-29-23-22-25-33-44(56)52-54(66-52)51(60)53-47(65-53)34-8-5-2/h12,14,17,26,42-47,51-56,60H,4-11,13,15-16,18-25,27-41H2,1-3H3/b14-12?,26-17?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:26][CH2:35][CH:45]1[CH:46]([CH2:36][CH2:27][CH2:19][CH2:16][CH2:21][CH2:28][CH2:37][C:48](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:49]([CH2:38][CH2:29][CH2:23][CH2:22][CH2:25][CH2:33][CH:44]([CH:52]2[CH:54]([CH:51]([CH:53]3[CH:47]([CH2:34][CH2:8][CH2:5][CH3:2])[O:65]3)[OH:60])[O:66]2)[OH:56])=[O:58])[O:63][C:50]([CH2:39][CH2:30][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH2:24][CH2:32][CH:42]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:59])[O:64]1 |
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