| Properties | Image |
|---|
| MNX_ID | MNXM1187170 |
 |
| reference | envipathM:...f4627ae66e64 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | VBPQNEOQJNKBAP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-21-26-32-43(55)52(59)54(60)63-42(40-61-50(57)37-30-23-19-22-29-36-46-45(64-46)35-28-20-11-8-5-2)41-62-51(58)38-31-25-24-27-33-44(56)53-49(66-53)39-48-47(65-48)34-9-6-3/h12-13,20,28,42,44-49,52-53,56,59H,4-11,14-19,21-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCC(=O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-21-26-32-43(55)52(59)54(60)63-42(40-61-50(57)37-30-23-19-22-29-36-46-45(64-46)35-28-20-11-8-5-2)41-62-51(58)38-31-25-24-27-33-44(56)53-49(66-53)39-48-47(65-48)34-9-6-3/h12-13,20,28,42,44-49,52-53,56,59H,4-11,14-19,21-27,29-41H2,1-3H3/b13-12?,28-20?/t42?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:21][CH2:26][CH2:32][C:43]([CH:52]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:50]([CH2:37][CH2:30][CH2:23][CH2:19][CH2:22][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH:28]=[CH:20][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)=[O:57])[CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:25][CH2:24][CH2:27][CH2:33][CH:44]([CH:53]1[CH:49]([CH2:39][CH:48]2[CH:47]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:56])=[O:58])[OH:59])=[O:55] |
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