| Properties | Image |
|---|
| MNX_ID | MNXM1184717 |
 |
| reference | envipathM:...20131a8466b9 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | RFQGRTPZKRPFEG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-3-5-7-19-27-35-47-48(66-47)36-28-24-26-33-45(57)53(61)54(62)64-42-43(65-52(60)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-51(59)37-29-22-18-20-25-32-44(56)46(58)40-50-49(67-50)34-6-4-2/h8-9,13,15,19,27,43-50,53,55-58,61H,3-7,10-12,14,16-18,20-26,28-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCC(O)C(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1CCCC)OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-3-5-7-19-27-35-47-48(66-47)36-28-24-26-33-45(57)53(61)54(62)64-42-43(65-52(60)38-30-21-16-14-12-10-8-9-11-13-15-17-23-31-39-55)41-63-51(59)37-29-22-18-20-25-32-44(56)46(58)40-50-49(67-50)34-6-4-2/h8-9,13,15,19,27,43-50,53,55-58,61H,3-7,10-12,14,16-18,20-26,28-42H2,1-2H3/b9-8?,15-13?,27-19?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:19]=[CH:27][CH2:35][CH:47]1[CH:48]([CH2:36][CH2:28][CH2:24][CH2:26][CH2:33][CH:45]([CH:53]([C:54](=[O:62])[O:64][CH2:42][CH:43]([CH2:41][O:63][C:51]([CH2:37][CH2:29][CH2:22][CH2:18][CH2:20][CH2:25][CH2:32][CH:44]([CH:46]([CH2:40][CH:50]2[CH:49]([CH2:34][CH2:6][CH2:4][CH3:2])[O:67]2)[OH:58])[OH:56])=[O:59])[O:65][C:52]([CH2:38][CH2:30][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH:8]=[CH:9][CH2:11][CH:13]=[CH:15][CH2:17][CH2:23][CH2:31][CH2:39][OH:55])=[O:60])[OH:61])[OH:57])[O:66]1 |
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