| Properties | Image |
|---|
| MNX_ID | MNXM1198092 |
 |
| reference | envipathM:...f85e5b7cd9f2 |
| formula | C54H98O12 |
| global charge | 0 |
| mol weight | 939.366 |
| InChIKey | XTGNVWHOTXJESQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H98O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-35-46(57)54(61)64-43(42-63-52(60)39-32-26-25-27-34-45(56)53-49(66-53)37-30-21-11-8-5-2)41-62-51(59)38-31-24-20-23-29-36-48-50(65-48)40-47(58)44(55)33-9-6-3/h21,30,43-50,53,55-58H,4-20,22-29,31-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC(O)C(O)CCCC)OC(=O)C(O)CCCCCCCCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H98O12/c1-4-7-10-12-13-14-15-16-17-18-19-22-28-35-46(57)54(61)64-43(42-63-52(60)39-32-26-25-27-34-45(56)53-49(66-53)37-30-21-11-8-5-2)41-62-51(59)38-31-24-20-23-29-36-48-50(65-48)40-47(58)44(55)33-9-6-3/h21,30,43-50,53,55-58H,4-20,22-29,31-42H2,1-3H3/b30-21?/t43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:28][CH2:35][CH:46]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:24][CH2:20][CH2:23][CH2:29][CH2:36][CH:48]1[CH:50]([CH2:40][CH:47]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])[OH:58])[O:65]1)=[O:59])[CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:25][CH2:27][CH2:34][CH:45]([CH:53]1[CH:49]([CH2:37][CH:30]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])=[O:60])[OH:57] |
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