| Properties | Image |
|---|
| MNX_ID | MNXM1197091 |
 |
| reference | envipathM:...0b79b1bed6a2 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | RRKATSAQGBMVBC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-13-22-31-46-47(64-46)32-23-14-11-16-25-34-51(58)61-40-44(63-53(60)36-27-19-18-21-30-43(56)38-37-42(55)29-20-10-8-5-2)41-62-52(59)35-26-17-12-15-24-33-48-49(65-48)39-50-54(66-50)45(57)28-6-3/h13,22,42-50,54-57H,4-12,14-21,23-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCC(O)CCC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-13-22-31-46-47(64-46)32-23-14-11-16-25-34-51(58)61-40-44(63-53(60)36-27-19-18-21-30-43(56)38-37-42(55)29-20-10-8-5-2)41-62-52(59)35-26-17-12-15-24-33-48-49(65-48)39-50-54(66-50)45(57)28-6-3/h13,22,42-50,54-57H,4-12,14-21,23-41H2,1-3H3/b22-13?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:13]=[CH:22][CH2:31][CH:46]1[CH:47]([CH2:32][CH2:23][CH2:14][CH2:11][CH2:16][CH2:25][CH2:34][C:51](=[O:58])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:52]([CH2:35][CH2:26][CH2:17][CH2:12][CH2:15][CH2:24][CH2:33][CH:48]2[CH:49]([CH2:39][CH:50]3[CH:54]([CH:45]([CH2:28][CH2:6][CH3:3])[OH:57])[O:66]3)[O:65]2)=[O:59])[O:63][C:53]([CH2:36][CH2:27][CH2:19][CH2:18][CH2:21][CH2:30][CH:43]([CH2:38][CH2:37][CH:42]([CH2:29][CH2:20][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:60])[O:64]1 |
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