| Properties | Image |
|---|
| MNX_ID | MNXM1173963 |
 |
| reference | envipathM:...252fe5fdcc4d |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | VUSAKDQDZFOXCA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-19-24-32-44(56)53(59)54(60)63-43(40-61-51(57)37-27-22-17-20-25-34-45-46(64-45)36-29-31-42(55)30-6-3)41-62-52(58)38-28-23-18-21-26-35-48-50(66-48)39-49-47(65-49)33-8-5-2/h29,31,42-50,53,55-56,59H,4-28,30,32-41H2,1-3H3 |
| SMILES | CCCCCCCCCCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1CC=CC(O)CCC)COC(=O)CCCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-10-11-12-13-14-15-16-19-24-32-44(56)53(59)54(60)63-43(40-61-51(57)37-27-22-17-20-25-34-45-46(64-45)36-29-31-42(55)30-6-3)41-62-52(58)38-28-23-18-21-26-35-48-50(66-48)39-49-47(65-49)33-8-5-2/h29,31,42-50,53,55-56,59H,4-28,30,32-41H2,1-3H3/b31-29?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:19][CH2:24][CH2:32][CH:44]([CH:53]([C:54](=[O:60])[O:63][CH:43]([CH2:40][O:61][C:51]([CH2:37][CH2:27][CH2:22][CH2:17][CH2:20][CH2:25][CH2:34][CH:45]1[CH:46]([CH2:36][CH:29]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])[O:64]1)=[O:57])[CH2:41][O:62][C:52]([CH2:38][CH2:28][CH2:23][CH2:18][CH2:21][CH2:26][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]2)[O:66]1)=[O:58])[OH:59])[OH:56] |
|