| Properties | Image |
|---|
| MNX_ID | MNXM1183038 |
 |
| reference | envipathM:...a8941ab652dd |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | INIHTNPSPDFICH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-16-22-30-42(55)31-23-21-25-33-45(57)54(60)63-43(41-62-53(59)44(56)32-24-19-20-28-36-47-46(64-47)35-26-15-11-8-5-2)40-61-52(58)38-29-18-14-17-27-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h12-13,22,30,42-51,55-57H,4-11,14-21,23-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCCC1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-16-22-30-42(55)31-23-21-25-33-45(57)54(60)63-43(41-62-53(59)44(56)32-24-19-20-28-36-47-46(64-47)35-26-15-11-8-5-2)40-61-52(58)38-29-18-14-17-27-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h12-13,22,30,42-51,55-57H,4-11,14-21,23-29,31-41H2,1-3H3/b13-12?,30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:22]=[CH:30][CH:42]([CH2:31][CH2:23][CH2:21][CH2:25][CH2:33][CH:45]([C:54](=[O:60])[O:63][CH:43]([CH2:40][O:61][C:52]([CH2:38][CH2:29][CH2:18][CH2:14][CH2:17][CH2:27][CH2:37][CH:49]1[CH:51]([CH2:39][CH:50]2[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:58])[CH2:41][O:62][C:53]([CH:44]([CH2:32][CH2:24][CH2:19][CH2:20][CH2:28][CH2:36][CH:47]1[CH:46]([CH2:35][CH2:26][CH2:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:64]1)[OH:56])=[O:59])[OH:57])[OH:55] |
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