| Properties | Image |
|---|
| MNX_ID | MNXM1138463 |
 |
| reference | envipathM:...282686a70d6c |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | IKVFDSLCJHBINU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-15-22-30-42(55)43(56)31-23-18-21-29-38-50(60)64-41(40-63-49(59)37-28-20-19-24-32-44(57)52-45(65-52)34-25-14-11-8-5-2)39-62-48(58)36-27-17-13-16-26-35-47-54(67-47)51(61)53-46(66-53)33-9-6-3/h12,14-15,25,41-47,51-57,61H,4-11,13,16-24,26-40H2,1-3H3 |
| SMILES | CCCCC=CCCC(O)C(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-15-22-30-42(55)43(56)31-23-18-21-29-38-50(60)64-41(40-63-49(59)37-28-20-19-24-32-44(57)52-45(65-52)34-25-14-11-8-5-2)39-62-48(58)36-27-17-13-16-26-35-47-54(67-47)51(61)53-46(66-53)33-9-6-3/h12,14-15,25,41-47,51-57,61H,4-11,13,16-24,26-40H2,1-3H3/b15-12?,25-14?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:15][CH2:22][CH2:30][CH:42]([CH:43]([CH2:31][CH2:23][CH2:18][CH2:21][CH2:29][CH2:38][C:50](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:48]([CH2:36][CH2:27][CH2:17][CH2:13][CH2:16][CH2:26][CH2:35][CH:47]1[CH:54]([CH:51]([CH:53]2[CH:46]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]2)[OH:61])[O:67]1)=[O:58])[CH2:40][O:63][C:49]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:24][CH2:32][CH:44]([CH:52]1[CH:45]([CH2:34][CH:25]=[CH:14][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:57])=[O:59])[OH:56])[OH:55] |
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