| Properties | Image |
|---|
| MNX_ID | MNXM1173374 |
 |
| reference | envipathM:...d3c8f26bfefb |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | BXMHRJLBTABFGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-32-39-52(60)64-43(41-62-51(59)38-31-25-21-23-30-37-49-48(65-49)36-29-22-11-8-5-2)42-63-54(61)46(57)35-28-26-27-34-45(56)53-50(66-53)40-47(58)44(55)33-9-6-3/h12-13,15-16,22,29,43-46,48-50,53,55-57H,4-11,14,17-21,23-28,30-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)C(O)CCCCCC(O)C1OC1CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-32-39-52(60)64-43(41-62-51(59)38-31-25-21-23-30-37-49-48(65-49)36-29-22-11-8-5-2)42-63-54(61)46(57)35-28-26-27-34-45(56)53-50(66-53)40-47(58)44(55)33-9-6-3/h12-13,15-16,22,29,43-46,48-50,53,55-57H,4-11,14,17-21,23-28,30-42H2,1-3H3/b13-12?,16-15?,29-22?/t43?,44?,45?,46?,48?,49?,50?,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][CH2:24][CH2:32][CH2:39][C:52](=[O:60])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:25][CH2:21][CH2:23][CH2:30][CH2:37][CH:49]1[CH:48]([CH2:36][CH:29]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:59])[CH2:42][O:63][C:54]([CH:46]([CH2:35][CH2:28][CH2:26][CH2:27][CH2:34][CH:45]([CH:53]1[CH:50]([CH2:40][C:47]([CH:44]([CH2:33][CH2:9][CH2:6][CH3:3])[OH:55])=[O:58])[O:66]1)[OH:56])[OH:57])=[O:61] |
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