| Properties | Image |
|---|
| MNX_ID | MNXM1172589 |
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| reference | envipathM:...b0218683abad |
| formula | C54H90O11 |
| global charge | 0 |
| mol weight | 915.303 |
| InChIKey | VJYPRUZWNMKNCH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O11/c1-4-7-10-16-26-35-46-47(63-46)36-28-22-21-25-33-45(56)54(59)61-42-44(62-53(58)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-60-52(57)38-29-20-15-18-27-37-49-51(65-49)40-50-48(64-50)34-9-6-3/h16,23-24,26,31-32,43-44,46-51,55H,4-15,17-22,25,27-30,33-42H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCC(=O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O11/c1-4-7-10-16-26-35-46-47(63-46)36-28-22-21-25-33-45(56)54(59)61-42-44(62-53(58)39-30-19-14-12-13-17-24-32-43(55)31-23-11-8-5-2)41-60-52(57)38-29-20-15-18-27-37-49-51(65-49)40-50-48(64-50)34-9-6-3/h16,23-24,26,31-32,43-44,46-51,55H,4-15,17-22,25,27-30,33-42H2,1-3H3/b26-16?,31-23?,32-24?/t43?,44?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:16]=[CH:26][CH2:35][CH:46]1[CH:47]([CH2:36][CH2:28][CH2:22][CH2:21][CH2:25][CH2:33][C:45]([C:54](=[O:59])[O:61][CH2:42][CH:44]([CH2:41][O:60][C:52]([CH2:38][CH2:29][CH2:20][CH2:15][CH2:18][CH2:27][CH2:37][CH:49]2[CH:51]([CH2:40][CH:50]3[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:64]3)[O:65]2)=[O:57])[O:62][C:53]([CH2:39][CH2:30][CH2:19][CH2:14][CH2:12][CH2:13][CH2:17][CH:24]=[CH:32][CH:43]([CH:31]=[CH:23][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:58])=[O:56])[O:63]1 |
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