| Properties | Image |
|---|
| MNX_ID | MNXM1188065 |
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| reference | envipathM:...c6e8f87c36a8 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | QEIORMQTNCVIHI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-3-5-7-9-10-11-12-13-14-15-16-20-25-33-44(56)54(60)63-43(41-61-49(57)38-29-23-17-21-27-35-46-45(64-46)34-26-19-8-6-4-2)42-62-50(58)39-30-24-18-22-28-36-47-52(65-47)51(59)53-48(66-53)37-31-32-40-55/h19,26,43-48,51-53,55-56,59H,3-18,20-25,27-42H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCCO)OC(=O)C(O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-3-5-7-9-10-11-12-13-14-15-16-20-25-33-44(56)54(60)63-43(41-61-49(57)38-29-23-17-21-27-35-46-45(64-46)34-26-19-8-6-4-2)42-62-50(58)39-30-24-18-22-28-36-47-52(65-47)51(59)53-48(66-53)37-31-32-40-55/h19,26,43-48,51-53,55-56,59H,3-18,20-25,27-42H2,1-2H3/b26-19?/t43?,44?,45?,46?,47?,48?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:20][CH2:25][CH2:33][CH:44]([C:54](=[O:60])[O:63][CH:43]([CH2:41][O:61][C:49]([CH2:38][CH2:29][CH2:23][CH2:17][CH2:21][CH2:27][CH2:35][CH:46]1[CH:45]([CH2:34][CH:26]=[CH:19][CH2:8][CH2:6][CH2:4][CH3:2])[O:64]1)=[O:57])[CH2:42][O:62][C:50]([CH2:39][CH2:30][CH2:24][CH2:18][CH2:22][CH2:28][CH2:36][CH:47]1[CH:52]([CH:51]([CH:53]2[CH:48]([CH2:37][CH2:31][CH2:32][CH2:40][OH:55])[O:66]2)[OH:59])[O:65]1)=[O:58])[OH:56] |
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