| Properties | Image |
|---|
| MNX_ID | MNXM1183948 |
 |
| reference | envipathM:...21bd2e51ddee |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | NZSMYLBQCPKNFS-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-50(59)64-43(42-63-49(58)39-32-27-22-24-30-37-46-53(65-46)45(56)35-28-11-8-5-2)41-62-48(57)38-31-26-21-23-29-34-44(55)51(60)52(61)54-47(66-54)36-9-6-3/h15-16,28,35,43-47,52-56,61H,4-14,17-27,29-34,36-42H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC(O)C(=O)C(O)C1OC1CCCC)OC(=O)CCCCCCCC=CCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-25-33-40-50(59)64-43(42-63-49(58)39-32-27-22-24-30-37-46-53(65-46)45(56)35-28-11-8-5-2)41-62-48(57)38-31-26-21-23-29-34-44(55)51(60)52(61)54-47(66-54)36-9-6-3/h15-16,28,35,43-47,52-56,61H,4-14,17-27,29-34,36-42H2,1-3H3/b16-15?,35-28?/t43?,44?,45?,46?,47?,52?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:25][CH2:33][CH2:40][C:50](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:48]([CH2:38][CH2:31][CH2:26][CH2:21][CH2:23][CH2:29][CH2:34][CH:44]([C:51]([CH:52]([CH:54]1[CH:47]([CH2:36][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:61])=[O:60])[OH:55])=[O:57])[CH2:42][O:63][C:49]([CH2:39][CH2:32][CH2:27][CH2:22][CH2:24][CH2:30][CH2:37][CH:46]1[CH:53]([CH:45]([CH:35]=[CH:28][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:65]1)=[O:58] |
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