| Properties | Image |
|---|
| MNX_ID | MNXM1176482 |
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| reference | envipathM:...75d3bec6f34d |
| formula | C54H88O12 |
| global charge | 0 |
| mol weight | 929.286 |
| InChIKey | LXLXOPQBXQUQIY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H88O12/c1-4-7-9-21-29-43(56)30-22-15-11-10-12-18-27-36-53(60)63-44(40-61-51(58)34-25-19-13-16-23-32-47-50(65-47)39-49-46(64-49)31-8-5-2)41-62-52(59)35-26-20-14-17-24-33-48-54(66-48)45(57)38-37-42(55)28-6-3/h21-22,29-30,37-38,42,44,46-50,54-55H,4-20,23-28,31-36,39-41H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(=O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H88O12/c1-4-7-9-21-29-43(56)30-22-15-11-10-12-18-27-36-53(60)63-44(40-61-51(58)34-25-19-13-16-23-32-47-50(65-47)39-49-46(64-49)31-8-5-2)41-62-52(59)35-26-20-14-17-24-33-48-54(66-48)45(57)38-37-42(55)28-6-3/h21-22,29-30,37-38,42,44,46-50,54-55H,4-20,23-28,31-36,39-41H2,1-3H3/b29-21?,30-22?,38-37?/t42?,44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:21]=[CH:29][C:43]([CH:30]=[CH:22][CH2:15][CH2:11][CH2:10][CH2:12][CH2:18][CH2:27][CH2:36][C:53](=[O:60])[O:63][CH:44]([CH2:40][O:61][C:51]([CH2:34][CH2:25][CH2:19][CH2:13][CH2:16][CH2:23][CH2:32][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:64]2)[O:65]1)=[O:58])[CH2:41][O:62][C:52]([CH2:35][CH2:26][CH2:20][CH2:14][CH2:17][CH2:24][CH2:33][CH:48]1[CH:54]([C:45]([CH:38]=[CH:37][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])=[O:57])[O:66]1)=[O:59])=[O:56] |
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