| Properties | Image |
|---|
| MNX_ID | MNXM1172308 |
 |
| reference | envipathM:...3e7dd057a5b0 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | HMKWHEJOBQPZRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-51(58)63-42(40-61-53(59)44(56)33-26-22-24-29-36-47-46(64-47)35-28-20-10-8-5-2)41-62-54(60)45(57)34-27-23-25-30-37-48-49(65-48)39-50-52(66-50)43(55)32-6-3/h11-12,14-15,20,28,42-44,46-50,52,55-56H,4-10,13,16-19,21-27,29-41H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)C(=O)CCCCCCC1OC1CC1OC1C(O)CCC)COC(=O)C(O)CCCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-51(58)63-42(40-61-53(59)44(56)33-26-22-24-29-36-47-46(64-47)35-28-20-10-8-5-2)41-62-54(60)45(57)34-27-23-25-30-37-48-49(65-48)39-50-52(66-50)43(55)32-6-3/h11-12,14-15,20,28,42-44,46-50,52,55-56H,4-10,13,16-19,21-27,29-41H2,1-3H3/b12-11?,15-14?,28-20?/t42?,43?,44?,46?,47?,48?,49?,50?,52? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:21][CH2:31][CH2:38][C:51](=[O:58])[O:63][CH:42]([CH2:40][O:61][C:53]([CH:44]([CH2:33][CH2:26][CH2:22][CH2:24][CH2:29][CH2:36][CH:47]1[CH:46]([CH2:35][CH:28]=[CH:20][CH2:10][CH2:8][CH2:5][CH3:2])[O:64]1)[OH:56])=[O:59])[CH2:41][O:62][C:54]([C:45]([CH2:34][CH2:27][CH2:23][CH2:25][CH2:30][CH2:37][CH:48]1[CH:49]([CH2:39][CH:50]2[CH:52]([CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[O:66]2)[O:65]1)=[O:57])=[O:60] |
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