| Properties | Image |
|---|
| MNX_ID | MNXM1171306 |
 |
| reference | envipathM:...2e5c2ca9ed16 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | MOVOOHXDUCIBRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(58)63-42(41-62-54(60)45(57)34-28-25-27-32-43(55)52-48(66-52)37-30-21-11-8-5-2)40-61-53(59)44(56)33-26-23-24-29-36-47-50(65-47)39-49-46(64-49)35-9-6-3/h12-13,42-50,52,55-57H,4-11,14-41H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)C(O)CCCCCCC1OC1CC1OC1CCCC)COC(=O)C(O)CCCCCC(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-22-31-38-51(58)63-42(41-62-54(60)45(57)34-28-25-27-32-43(55)52-48(66-52)37-30-21-11-8-5-2)40-61-53(59)44(56)33-26-23-24-29-36-47-50(65-47)39-49-46(64-49)35-9-6-3/h12-13,42-50,52,55-57H,4-11,14-41H2,1-3H3/b13-12?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,52? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:31][CH2:38][C:51](=[O:58])[O:63][CH:42]([CH2:40][O:61][C:53]([CH:44]([CH2:33][CH2:26][CH2:23][CH2:24][CH2:29][CH2:36][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)[OH:56])=[O:59])[CH2:41][O:62][C:54]([CH:45]([CH2:34][CH2:28][CH2:25][CH2:27][CH2:32][CH:43]([CH:52]1[CH:48]([CH2:37][CH2:30][CH2:21][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:55])[OH:57])=[O:60] |
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