| Properties | Image |
|---|
| MNX_ID | MNXM1176143 |
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| reference | envipathM:...8374072ee017 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | ODAXBQNQRRCWMG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-21-22-30-39-50(59)63-43(40-61-48(57)37-28-19-14-17-26-35-45-52(64-45)44(56)33-25-11-8-5-2)41-62-49(58)38-29-20-15-18-27-36-47-54(66-47)51(60)53-46(65-53)34-9-6-3/h25,33,42-47,51-56,60H,4-24,26-32,34-41H2,1-3H3 |
| SMILES | CCCCC=CC(O)C1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCC(O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-16-23-31-42(55)32-24-21-22-30-39-50(59)63-43(40-61-48(57)37-28-19-14-17-26-35-45-52(64-45)44(56)33-25-11-8-5-2)41-62-49(58)38-29-20-15-18-27-36-47-54(66-47)51(60)53-46(65-53)34-9-6-3/h25,33,42-47,51-56,60H,4-24,26-32,34-41H2,1-3H3/b33-25?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:16][CH2:23][CH2:31][CH:42]([CH2:32][CH2:24][CH2:21][CH2:22][CH2:30][CH2:39][C:50](=[O:59])[O:63][CH:43]([CH2:40][O:61][C:48]([CH2:37][CH2:28][CH2:19][CH2:14][CH2:17][CH2:26][CH2:35][CH:45]1[CH:52]([CH:44]([CH:33]=[CH:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:64]1)=[O:57])[CH2:41][O:62][C:49]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:18][CH2:27][CH2:36][CH:47]1[CH:54]([CH:51]([CH:53]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:60])[O:66]1)=[O:58])[OH:55] |
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