| Properties | Image |
|---|
| MNX_ID | MNXM1191832 |
 |
| reference | envipathM:...36181aa7dc53 |
| formula | C54H94O14 |
| global charge | 0 |
| mol weight | 967.332 |
| InChIKey | RDRGHDSFYJMEGC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-38-48(59)66-41(40-65-54(63)44(57)34-28-25-26-30-36-46-45(67-46)35-29-21-10-8-5-2)39-64-47(58)37-31-24-20-22-27-33-43(56)49(60)51(62)53-52(68-53)50(61)42(55)6-3/h11-12,14-15,21,29,41-46,49-53,55-57,60-62H,4-10,13,16-20,22-28,30-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)C(O)C1OC1C(O)C(O)CC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O14/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-38-48(59)66-41(40-65-54(63)44(57)34-28-25-26-30-36-46-45(67-46)35-29-21-10-8-5-2)39-64-47(58)37-31-24-20-22-27-33-43(56)49(60)51(62)53-52(68-53)50(61)42(55)6-3/h11-12,14-15,21,29,41-46,49-53,55-57,60-62H,4-10,13,16-20,22-28,30-40H2,1-3H3/b12-11?,15-14?,29-21?/t41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:32][CH2:38][C:48](=[O:59])[O:66][CH:41]([CH2:39][O:64][C:47]([CH2:37][CH2:31][CH2:24][CH2:20][CH2:22][CH2:27][CH2:33][CH:43]([CH:49]([CH:51]([CH:53]1[CH:52]([CH:50]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:61])[O:68]1)[OH:62])[OH:60])[OH:56])=[O:58])[CH2:40][O:65][C:54]([CH:44]([CH2:34][CH2:28][CH2:25][CH2:26][CH2:30][CH2:36][CH:46]1[CH:45]([CH2:35][CH:29]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:67]1)[OH:57])=[O:63] |
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