| Properties | Image |
|---|
| MNX_ID | MNXM1182216 |
 |
| reference | envipathM:...74ff3fb3c1d4 |
| formula | C54H92O12 |
| global charge | 0 |
| mol weight | 933.318 |
| InChIKey | XPBZRPCZBPBTSR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O12/c1-4-7-9-17-25-34-45-46(64-45)35-26-19-16-21-27-36-50(57)61-40-43(63-52(59)38-28-20-15-13-11-10-12-14-18-23-31-42(55)30-6-3)41-62-51(58)37-29-22-24-32-44(56)53(60)54-49(66-54)39-48-47(65-48)33-8-5-2/h17,23,25,31,42-49,54-56H,4-16,18-22,24,26-30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCC(O)C(=O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCCCCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O12/c1-4-7-9-17-25-34-45-46(64-45)35-26-19-16-21-27-36-50(57)61-40-43(63-52(59)38-28-20-15-13-11-10-12-14-18-23-31-42(55)30-6-3)41-62-51(58)37-29-22-24-32-44(56)53(60)54-49(66-54)39-48-47(65-48)33-8-5-2/h17,23,25,31,42-49,54-56H,4-16,18-22,24,26-30,32-41H2,1-3H3/b25-17?,31-23?/t42?,43?,44?,45?,46?,47?,48?,49?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:25][CH2:34][CH:45]1[CH:46]([CH2:35][CH2:26][CH2:19][CH2:16][CH2:21][CH2:27][CH2:36][C:50](=[O:57])[O:61][CH2:40][CH:43]([CH2:41][O:62][C:51]([CH2:37][CH2:29][CH2:22][CH2:24][CH2:32][CH:44]([C:53]([CH:54]2[CH:49]([CH2:39][CH:48]3[CH:47]([CH2:33][CH2:8][CH2:5][CH3:2])[O:65]3)[O:66]2)=[O:60])[OH:56])=[O:58])[O:63][C:52]([CH2:38][CH2:28][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH2:12][CH2:14][CH2:18][CH:23]=[CH:31][CH:42]([CH2:30][CH2:6][CH3:3])[OH:55])=[O:59])[O:64]1 |
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