| Properties | Image |
|---|
| MNX_ID | MNXM1170338 |
 |
| reference | envipathM:...252c3a4fbe4d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | JGPWHURMWMVWER-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(59)64-41(39-62-49(58)36-30-24-27-31-42(55)51(60)53-52(67-53)43(56)32-25-11-8-5-2)40-63-54(61)44(57)33-26-22-23-28-35-46-48(66-46)38-47-45(65-47)34-9-6-3/h12-13,15-16,25,32,41-48,52-53,55-57H,4-11,14,17-24,26-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCC(O)C(=O)C1OC1C(O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-29-37-50(59)64-41(39-62-49(58)36-30-24-27-31-42(55)51(60)53-52(67-53)43(56)32-25-11-8-5-2)40-63-54(61)44(57)33-26-22-23-28-35-46-48(66-46)38-47-45(65-47)34-9-6-3/h12-13,15-16,25,32,41-48,52-53,55-57H,4-11,14,17-24,26-31,33-40H2,1-3H3/b13-12?,16-15?,32-25?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:29][CH2:37][C:50](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:30][CH2:24][CH2:27][CH2:31][CH:42]([C:51]([CH:53]1[CH:52]([CH:43]([CH:32]=[CH:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:67]1)=[O:60])[OH:55])=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:33][CH2:26][CH2:22][CH2:23][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:38][CH:47]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)[OH:57])=[O:61] |
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