| Properties | Image |
|---|
| MNX_ID | MNXM1171343 |
 |
| reference | envipathM:...6bb21cf32405 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | KNLURRKTHAGDDY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-32-48-50(65-48)40-51-49(66-51)34-22-13-10-15-24-37-53(59)62-42-45(63-54(60)38-25-17-16-20-30-44(57)29-19-11-7-6-8-18-26-39-55)41-61-52(58)36-23-14-9-12-21-33-46-47(64-46)35-27-31-43(56)28-4-2/h6-7,43-51,55-57H,3-5,8-42H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CCCC(O)CCC)OC(=O)CCCCCCC(O)CCCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-32-48-50(65-48)40-51-49(66-51)34-22-13-10-15-24-37-53(59)62-42-45(63-54(60)38-25-17-16-20-30-44(57)29-19-11-7-6-8-18-26-39-55)41-61-52(58)36-23-14-9-12-21-33-46-47(64-46)35-27-31-43(56)28-4-2/h6-7,43-51,55-57H,3-5,8-42H2,1-2H3/b7-6?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:32][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:34][CH2:22][CH2:13][CH2:10][CH2:15][CH2:24][CH2:37][C:53](=[O:59])[O:62][CH2:42][CH:45]([CH2:41][O:61][C:52]([CH2:36][CH2:23][CH2:14][CH2:9][CH2:12][CH2:21][CH2:33][CH:46]3[CH:47]([CH2:35][CH2:27][CH2:31][CH:43]([CH2:28][CH2:4][CH3:2])[OH:56])[O:64]3)=[O:58])[O:63][C:54]([CH2:38][CH2:25][CH2:17][CH2:16][CH2:20][CH2:30][CH:44]([CH2:29][CH2:19][CH2:11][CH:7]=[CH:6][CH2:8][CH2:18][CH2:26][CH2:39][OH:55])[OH:57])=[O:60])[O:66]2)[O:65]1 |
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