| Properties | Image |
|---|
| MNX_ID | MNXM1191453 |
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| reference | envipathM:...1cebfc292503 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | QOQWOZQOGLEIGB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-17-24-32-46(57)47(58)34-26-22-30-39-54(61)64-43(41-62-52(59)37-28-20-14-18-25-33-45(56)44(55)31-23-16-11-8-5-2)42-63-53(60)38-29-21-15-19-27-36-49-51(66-49)40-50-48(65-50)35-9-6-3/h12-13,16,23,43-46,48-51,55-57H,4-11,14-15,17-22,24-42H2,1-3H3 |
| SMILES | CCCCC=CCCCC(O)C(=O)CCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-17-24-32-46(57)47(58)34-26-22-30-39-54(61)64-43(41-62-52(59)37-28-20-14-18-25-33-45(56)44(55)31-23-16-11-8-5-2)42-63-53(60)38-29-21-15-19-27-36-49-51(66-49)40-50-48(65-50)35-9-6-3/h12-13,16,23,43-46,48-51,55-57H,4-11,14-15,17-22,24-42H2,1-3H3/b13-12?,23-16?/t43?,44?,45?,46?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:17][CH2:24][CH2:32][CH:46]([C:47]([CH2:34][CH2:26][CH2:22][CH2:30][CH2:39][C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:52]([CH2:37][CH2:28][CH2:20][CH2:14][CH2:18][CH2:25][CH2:33][CH:45]([CH:44]([CH2:31][CH:23]=[CH:16][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])[CH2:42][O:63][C:53]([CH2:38][CH2:29][CH2:21][CH2:15][CH2:19][CH2:27][CH2:36][CH:49]1[CH:51]([CH2:40][CH:50]2[CH:48]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:60])=[O:58])[OH:57] |
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