| Properties | Image |
|---|
| MNX_ID | MNXM1174742 |
 |
| reference | envipathM:...7fee3e990562 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | QMNDAXWZDHVYFH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-3-5-6-7-8-11-18-29-44(57)30-19-16-17-24-38-54(60)63-45(41-61-52(58)36-22-14-9-12-20-32-46-47(64-46)35-27-31-43(56)28-4-2)42-62-53(59)37-23-15-10-13-21-33-48-50(65-48)40-51-49(66-51)34-25-26-39-55/h7-8,27,31,43,45-51,55-56H,3-6,9-26,28-30,32-42H2,1-2H3 |
| SMILES | CCCCC=CCCCC(=O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-3-5-6-7-8-11-18-29-44(57)30-19-16-17-24-38-54(60)63-45(41-61-52(58)36-22-14-9-12-20-32-46-47(64-46)35-27-31-43(56)28-4-2)42-62-53(59)37-23-15-10-13-21-33-48-50(65-48)40-51-49(66-51)34-25-26-39-55/h7-8,27,31,43,45-51,55-56H,3-6,9-26,28-30,32-42H2,1-2H3/b8-7?,31-27?/t43?,45?,46?,47?,48?,49?,50?,51? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:11][CH2:18][CH2:29][C:44]([CH2:30][CH2:19][CH2:16][CH2:17][CH2:24][CH2:38][C:54](=[O:60])[O:63][CH:45]([CH2:41][O:61][C:52]([CH2:36][CH2:22][CH2:14][CH2:9][CH2:12][CH2:20][CH2:32][CH:46]1[CH:47]([CH2:35][CH:27]=[CH:31][CH:43]([CH2:28][CH2:4][CH3:2])[OH:56])[O:64]1)=[O:58])[CH2:42][O:62][C:53]([CH2:37][CH2:23][CH2:15][CH2:10][CH2:13][CH2:21][CH2:33][CH:48]1[CH:50]([CH2:40][CH:51]2[CH:49]([CH2:34][CH2:25][CH2:26][CH2:39][OH:55])[O:66]2)[O:65]1)=[O:59])=[O:57] |
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