| Properties | Image |
|---|
| MNX_ID | MNXM1195202 |
 |
| reference | envipathM:...58e9f09a5c5a |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | PESPXPRXZQGODJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-25-33-45(56)54(61)46(57)34-26-19-16-22-28-37-51(58)62-41-44(64-53(60)39-30-21-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-63-52(59)38-29-23-17-20-27-36-48-50(66-48)40-49-47(65-49)35-8-5-2/h12,14,25,33,43-44,46-50,54-55,57,61H,4-11,13,15-24,26-32,34-42H2,1-3H3 |
| SMILES | CCCCC=CC(=O)C(O)C(O)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-25-33-45(56)54(61)46(57)34-26-19-16-22-28-37-51(58)62-41-44(64-53(60)39-30-21-15-13-11-10-12-14-18-24-32-43(55)31-6-3)42-63-52(59)38-29-23-17-20-27-36-48-50(66-48)40-49-47(65-49)35-8-5-2/h12,14,25,33,43-44,46-50,54-55,57,61H,4-11,13,15-24,26-32,34-42H2,1-3H3/b14-12?,33-25?/t43?,44?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:25]=[CH:33][C:45]([CH:54]([CH:46]([CH2:34][CH2:26][CH2:19][CH2:16][CH2:22][CH2:28][CH2:37][C:51](=[O:58])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:52]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:20][CH2:27][CH2:36][CH:48]1[CH:50]([CH2:40][CH:49]2[CH:47]([CH2:35][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:59])[O:64][C:53]([CH2:39][CH2:30][CH2:21][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH2:24][CH2:32][CH:43]([CH2:31][CH2:6][CH3:3])[OH:55])=[O:60])[OH:57])[OH:61])=[O:56] |
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