| Properties | Image |
|---|
| MNX_ID | MNXM1180596 |
 |
| reference | envipathM:...5cb597958900 |
| formula | C54H96O11 |
| global charge | 0 |
| mol weight | 921.351 |
| InChIKey | SYMLRUDMMIRPDJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(60)63-44(43-62-52(59)39-32-27-26-29-35-46(56)54-49(65-54)37-30-22-11-8-5-2)42-61-51(58)38-31-25-21-23-28-34-45(55)47(57)41-50-48(64-50)36-9-6-3/h12-13,44-46,48-50,54-56H,4-11,14-43H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(=O)CC1OC1CCCC)COC(=O)CCCCCCC(O)C1OC1CCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O11/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-33-40-53(60)63-44(43-62-52(59)39-32-27-26-29-35-46(56)54-49(65-54)37-30-22-11-8-5-2)42-61-51(58)38-31-25-21-23-28-34-45(55)47(57)41-50-48(64-50)36-9-6-3/h12-13,44-46,48-50,54-56H,4-11,14-43H2,1-3H3/b13-12?/t44?,45?,46?,48?,49?,50?,54? |
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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][CH2:24][CH2:33][CH2:40][C:53](=[O:60])[O:63][CH:44]([CH2:42][O:61][C:51]([CH2:38][CH2:31][CH2:25][CH2:21][CH2:23][CH2:28][CH2:34][CH:45]([C:47]([CH2:41][CH:50]1[CH:48]([CH2:36][CH2:9][CH2:6][CH3:3])[O:64]1)=[O:57])[OH:55])=[O:58])[CH2:43][O:62][C:52]([CH2:39][CH2:32][CH2:27][CH2:26][CH2:29][CH2:35][CH:46]([CH:54]1[CH:49]([CH2:37][CH2:30][CH2:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:56])=[O:59] |
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