| Properties | Image |
|---|
| MNX_ID | MNXM1185789 |
 |
| reference | envipathM:...a12662fd00b9 |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | UINVMQDJVGJWMO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-4-7-33-46(57)47(58)40-51-50(66-51)35-24-18-15-21-26-38-53(60)63-42-45(64-54(61)39-27-19-13-11-9-8-10-12-16-22-31-43(55)29-5-2)41-62-52(59)37-25-20-14-17-23-34-48-49(65-48)36-28-32-44(56)30-6-3/h22,31,43-51,55-58H,4-21,23-30,32-42H2,1-3H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-4-7-33-46(57)47(58)40-51-50(66-51)35-24-18-15-21-26-38-53(60)63-42-45(64-54(61)39-27-19-13-11-9-8-10-12-16-22-31-43(55)29-5-2)41-62-52(59)37-25-20-14-17-23-34-48-49(65-48)36-28-32-44(56)30-6-3/h22,31,43-51,55-58H,4-21,23-30,32-42H2,1-3H3/b31-22?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:33][CH:46]([CH:47]([CH2:40][CH:51]1[CH:50]([CH2:35][CH2:24][CH2:18][CH2:15][CH2:21][CH2:26][CH2:38][C:53](=[O:60])[O:63][CH2:42][CH:45]([CH2:41][O:62][C:52]([CH2:37][CH2:25][CH2:20][CH2:14][CH2:17][CH2:23][CH2:34][CH:48]2[CH:49]([CH2:36][CH2:28][CH2:32][CH:44]([CH2:30][CH2:6][CH3:3])[OH:56])[O:65]2)=[O:59])[O:64][C:54]([CH2:39][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:8][CH2:10][CH2:12][CH2:16][CH:22]=[CH:31][CH:43]([CH2:29][CH2:5][CH3:2])[OH:55])=[O:61])[O:66]1)[OH:58])[OH:57] |
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