| Properties | Image |
|---|
| MNX_ID | MNXM1197915 |
 |
| reference | envipathM:...70526883a45d |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | AHACSYKRAVUVMI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(59)63-42(40-61-50(58)37-30-23-20-21-29-36-47-52(65-47)44(56)33-26-10-8-5-2)41-62-54(60)45(57)34-27-24-25-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h14-15,42-49,52-53,55-57H,4-13,16-41H2,1-3H3 |
| SMILES | CCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)CCCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-51(59)63-42(40-61-50(58)37-30-23-20-21-29-36-47-52(65-47)44(56)33-26-10-8-5-2)41-62-54(60)45(57)34-27-24-25-28-35-46-48(64-46)39-49-53(66-49)43(55)32-6-3/h14-15,42-49,52-53,55-57H,4-13,16-41H2,1-3H3/b15-14?/t42?,43?,44?,45?,46?,47?,48?,49?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:31][CH2:38][C:51](=[O:59])[O:63][CH:42]([CH2:40][O:61][C:50]([CH2:37][CH2:30][CH2:23][CH2:20][CH2:21][CH2:29][CH2:36][CH:47]1[CH:52]([CH:44]([CH2:33][CH2:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:65]1)=[O:58])[CH2:41][O:62][C:54]([CH:45]([CH2:34][CH2:27][CH2:24][CH2:25][CH2:28][CH2:35][CH:46]1[CH:48]([CH2:39][CH:49]2[CH:53]([CH:43]([CH2:32][CH2:6][CH3:3])[OH:55])[O:66]2)[O:64]1)[OH:57])=[O:60] |
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