| Properties | Image |
|---|
| MNX_ID | MNXM1184966 |
 |
| reference | envipathM:...40f14a690ab7 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | KKFVCTXSPCWZLR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-16-23-31-41(55)32-24-21-22-30-38-49(59)64-42(39-62-47(57)36-28-19-13-17-26-34-45-44(65-45)33-25-15-10-8-5-2)40-63-48(58)37-29-20-14-18-27-35-46-52(66-46)51(61)54-53(67-54)50(60)43(56)6-3/h11-12,23,31,41-46,50-56,60-61H,4-10,13-22,24-30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-16-23-31-41(55)32-24-21-22-30-38-49(59)64-42(39-62-47(57)36-28-19-13-17-26-34-45-44(65-45)33-25-15-10-8-5-2)40-63-48(58)37-29-20-14-18-27-35-46-52(66-46)51(61)54-53(67-54)50(60)43(56)6-3/h11-12,23,31,41-46,50-56,60-61H,4-10,13-22,24-30,32-40H2,1-3H3/b12-11?,31-23?/t41?,42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:16][CH:23]=[CH:31][CH:41]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:30][CH2:38][C:49](=[O:59])[O:64][CH:42]([CH2:39][O:62][C:47]([CH2:36][CH2:28][CH2:19][CH2:13][CH2:17][CH2:26][CH2:34][CH:45]1[CH:44]([CH2:33][CH2:25][CH2:15][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:40][O:63][C:48]([CH2:37][CH2:29][CH2:20][CH2:14][CH2:18][CH2:27][CH2:35][CH:46]1[CH:52]([CH:51]([CH:54]2[CH:53]([CH:50]([CH:43]([CH2:6][CH3:3])[OH:56])[OH:60])[O:67]2)[OH:61])[O:66]1)=[O:58])[OH:55] |
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