| Properties | Image |
|---|
| MNX_ID | MNXM1174591 |
 |
| reference | envipathM:...0f8473fb01f7 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | IYXCREVZMPAYJY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-34-45(57)54(60)63-42(41-62-51(59)38-31-25-24-26-33-44(56)52-47(65-52)36-29-20-10-8-5-2)40-61-50(58)37-30-23-19-22-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h11-12,14-15,20,29,42-49,52-53,55-57H,4-10,13,16-19,21-28,30-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-11-12-13-14-15-16-17-18-21-27-34-45(57)54(60)63-42(41-62-51(59)38-31-25-24-26-33-44(56)52-47(65-52)36-29-20-10-8-5-2)40-61-50(58)37-30-23-19-22-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h11-12,14-15,20,29,42-49,52-53,55-57H,4-10,13,16-19,21-28,30-41H2,1-3H3/b12-11?,15-14?,29-20?/t42?,43?,44?,45?,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][CH2:21][CH2:27][CH2:34][CH:45]([C:54](=[O:60])[O:63][CH:42]([CH2:40][O:61][C:50]([CH2:37][CH2:30][CH2:23][CH2:19][CH2:22][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:39][CH:49]2[CH:53]([CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[O:66]2)[O:64]1)=[O:58])[CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:25][CH2:24][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:59])[OH:57] |
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