| Properties | Image |
|---|
| MNX_ID | MNXM1187125 |
 |
| reference | envipathM:...144d4b50f94a |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | SRDUQMLNGCYJND-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-15-26-35-46-47(64-46)36-27-18-14-19-29-38-52(58)61-40-43(63-54(60)45(57)33-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)41-62-53(59)44(56)32-25-20-21-28-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h22,30,42-51,55-57H,4-21,23-29,31-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)CCCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-15-26-35-46-47(64-46)36-27-18-14-19-29-38-52(58)61-40-43(63-54(60)45(57)33-24-17-13-12-16-23-31-42(55)30-22-11-8-5-2)41-62-53(59)44(56)32-25-20-21-28-37-49-51(66-49)39-50-48(65-50)34-9-6-3/h22,30,42-51,55-57H,4-21,23-29,31-41H2,1-3H3/b30-22?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:15][CH2:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:27][CH2:18][CH2:14][CH2:19][CH2:29][CH2:38][C:52](=[O:58])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:53]([CH:44]([CH2:32][CH2:25][CH2:20][CH2:21][CH2:28][CH2:37][CH:49]2[CH:51]([CH2:39][CH:50]3[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]3)[O:66]2)[OH:56])=[O:59])[O:63][C:54]([CH:45]([CH2:33][CH2:24][CH2:17][CH2:13][CH2:12][CH2:16][CH2:23][CH2:31][CH:42]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:57])=[O:60])[O:64]1 |
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