| Properties | Image |
|---|
| MNX_ID | MNXM1196578 |
 |
| reference | envipathM:...9469a5d26f9e |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | SAGNVFZMXXPRCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-15-26-35-48-49(66-48)36-27-21-20-25-34-46(58)54(62)64-41-43(65-52(61)38-29-18-13-11-12-16-23-32-42(55)31-22-10-8-5-2)40-63-51(60)37-28-19-14-17-24-33-44(56)47(59)39-50-53(67-50)45(57)30-6-3/h15,22-23,26,31-32,42-50,53,55-59H,4-14,16-21,24-25,27-30,33-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC(O)C(O)CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-15-26-35-48-49(66-48)36-27-21-20-25-34-46(58)54(62)64-41-43(65-52(61)38-29-18-13-11-12-16-23-32-42(55)31-22-10-8-5-2)40-63-51(60)37-28-19-14-17-24-33-44(56)47(59)39-50-53(67-50)45(57)30-6-3/h15,22-23,26,31-32,42-50,53,55-59H,4-14,16-21,24-25,27-30,33-41H2,1-3H3/b26-15?,31-22?,32-23?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:26][CH2:35][CH:48]1[CH:49]([CH2:36][CH2:27][CH2:21][CH2:20][CH2:25][CH2:34][CH:46]([C:54](=[O:62])[O:64][CH2:41][CH:43]([CH2:40][O:63][C:51]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:17][CH2:24][CH2:33][CH:44]([CH:47]([CH2:39][CH:50]2[CH:53]([CH:45]([CH2:30][CH2:6][CH3:3])[OH:57])[O:67]2)[OH:59])[OH:56])=[O:60])[O:65][C:52]([CH2:38][CH2:29][CH2:18][CH2:13][CH2:11][CH2:12][CH2:16][CH:23]=[CH:32][CH:42]([CH:31]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:61])[OH:58])[O:66]1 |
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