| Properties | Image |
|---|
| MNX_ID | MNXM1175483 |
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| reference | envipathM:...5129f95522ca |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | ZVDOOUPQDNHOKV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-14-24-33-48-54(66-48)45(57)30-22-19-20-26-35-52(59)62-41-44(63-53(60)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)40-61-51(58)34-25-18-13-16-23-32-47-50(65-47)39-49-46(64-49)31-8-5-2/h14,24,42-50,54-57H,4-13,15-23,25-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCC(O)CCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-14-24-33-48-54(66-48)45(57)30-22-19-20-26-35-52(59)62-41-44(63-53(60)36-27-17-12-10-11-15-21-29-43(56)38-37-42(55)28-6-3)40-61-51(58)34-25-18-13-16-23-32-47-50(65-47)39-49-46(64-49)31-8-5-2/h14,24,42-50,54-57H,4-13,15-23,25-41H2,1-3H3/b24-14?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:14]=[CH:24][CH2:33][CH:48]1[CH:54]([CH:45]([CH2:30][CH2:22][CH2:19][CH2:20][CH2:26][CH2:35][C:52](=[O:59])[O:62][CH2:41][CH:44]([CH2:40][O:61][C:51]([CH2:34][CH2:25][CH2:18][CH2:13][CH2:16][CH2:23][CH2:32][CH:47]2[CH:50]([CH2:39][CH:49]3[CH:46]([CH2:31][CH2:8][CH2:5][CH3:2])[O:64]3)[O:65]2)=[O:58])[O:63][C:53]([CH2:36][CH2:27][CH2:17][CH2:12][CH2:10][CH2:11][CH2:15][CH2:21][CH2:29][CH:43]([CH2:38][CH2:37][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:56])=[O:60])[OH:57])[O:66]1 |
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