| Properties | Image |
|---|
| MNX_ID | MNXM1194311 |
 |
| reference | envipathM:...6687b4b352d8 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | RYKLVPUDXUGHHK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-7-14-23-33-46-47(64-46)34-24-16-12-19-26-36-51(58)61-41-44(63-53(60)38-28-18-11-9-10-15-22-31-43(56)30-21-8-6-4-2)42-62-52(59)37-27-20-13-17-25-35-48-49(65-48)40-50-54(66-50)45(57)32-29-39-55/h14,21,23,30,39,43-50,54,56-57H,3-13,15-20,22,24-29,31-38,40-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC=O)OC(=O)CCCCCCCCCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-7-14-23-33-46-47(64-46)34-24-16-12-19-26-36-51(58)61-41-44(63-53(60)38-28-18-11-9-10-15-22-31-43(56)30-21-8-6-4-2)42-62-52(59)37-27-20-13-17-25-35-48-49(65-48)40-50-54(66-50)45(57)32-29-39-55/h14,21,23,30,39,43-50,54,56-57H,3-13,15-20,22,24-29,31-38,40-42H2,1-2H3/b23-14?,30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:23][CH2:33][CH:46]1[CH:47]([CH2:34][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:36][C:51](=[O:58])[O:61][CH2:41][CH:44]([CH2:42][O:62][C:52]([CH2:37][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:35][CH:48]2[CH:49]([CH2:40][CH:50]3[CH:54]([CH:45]([CH2:32][CH2:29][CH:39]=[O:55])[OH:57])[O:66]3)[O:65]2)=[O:59])[O:63][C:53]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH2:22][CH2:31][CH:43]([CH:30]=[CH:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:60])[O:64]1 |
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