| Properties | Image |
|---|
| MNX_ID | MNXM1192067 |
 |
| reference | envipathM:...bf2615dd4d9f |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | JWLWKAONJNCQLG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-17-26-35-46-47(65-46)36-27-19-15-22-29-38-49(57)62-41-44(64-51(59)40-31-21-14-12-13-18-25-33-43(55)32-24-11-8-5-2)42-63-50(58)39-30-23-16-20-28-37-48-54(66-48)53(61)52(60)45(56)34-9-6-3/h17,24-26,32-33,43-48,53-56,61H,4-16,18-23,27-31,34-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C(=O)C(O)CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-17-26-35-46-47(65-46)36-27-19-15-22-29-38-49(57)62-41-44(64-51(59)40-31-21-14-12-13-18-25-33-43(55)32-24-11-8-5-2)42-63-50(58)39-30-23-16-20-28-37-48-54(66-48)53(61)52(60)45(56)34-9-6-3/h17,24-26,32-33,43-48,53-56,61H,4-16,18-23,27-31,34-42H2,1-3H3/b26-17?,32-24?,33-25?/t43?,44?,45?,46?,47?,48?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:17]=[CH:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:27][CH2:19][CH2:15][CH2:22][CH2:29][CH2:38][C:49](=[O:57])[O:62][CH2:41][CH:44]([CH2:42][O:63][C:50]([CH2:39][CH2:30][CH2:23][CH2:16][CH2:20][CH2:28][CH2:37][CH:48]2[CH:54]([CH:53]([C:52]([CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[OH:56])=[O:60])[OH:61])[O:66]2)=[O:58])[O:64][C:51]([CH2:40][CH2:31][CH2:21][CH2:14][CH2:12][CH2:13][CH2:18][CH:25]=[CH:33][CH:43]([CH:32]=[CH:24][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[O:65]1 |
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