| Properties | Image |
|---|
| MNX_ID | MNXM1252982 |
 |
| reference | envipathM:...98ae0fa08669 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | SNJYIYWCEKZFHD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-52(59)63-43(41-61-51(58)37-29-22-17-19-27-35-47-50(65-47)40-49-46(64-49)34-6-4-2)42-62-54(60)45(57)33-26-24-25-32-44(56)53-48(66-53)36-28-20-18-23-31-39-55/h8-9,11-12,43-50,53,55-57H,3-7,10,13-42H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CCCCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-30-38-52(59)63-43(41-61-51(58)37-29-22-17-19-27-35-47-50(65-47)40-49-46(64-49)34-6-4-2)42-62-54(60)45(57)33-26-24-25-32-44(56)53-48(66-53)36-28-20-18-23-31-39-55/h8-9,11-12,43-50,53,55-57H,3-7,10,13-42H2,1-2H3/b9-8?,12-11?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:10][CH:11]=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:21][CH2:30][CH2:38][C:52](=[O:59])[O:63][CH:43]([CH2:41][O:61][C:51]([CH2:37][CH2:29][CH2:22][CH2:17][CH2:19][CH2:27][CH2:35][CH:47]1[CH:50]([CH2:40][CH:49]2[CH:46]([CH2:34][CH2:6][CH2:4][CH3:2])[O:64]2)[O:65]1)=[O:58])[CH2:42][O:62][C:54]([CH:45]([CH2:33][CH2:26][CH2:24][CH2:25][CH2:32][CH:44]([CH:53]1[CH:48]([CH2:36][CH2:28][CH2:20][CH2:18][CH2:23][CH2:31][CH2:39][OH:55])[O:66]1)[OH:56])[OH:57])=[O:60] |
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