| Properties | Image |
|---|
| MNX_ID | MNXM1183833 |
 |
| reference | envipathM:...6af39f4fe37f |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | TYEVGBNQNQYJLU-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-9-11-12-13-14-15-16-17-18-22-29-36-47(58)54(61)64-43(41-62-51(59)38-31-25-19-23-28-35-45(56)44(55)34-27-21-10-8-5-2)42-63-52(60)39-32-26-20-24-30-37-48-49(65-48)40-50-53(66-50)46(57)33-6-3/h11-12,14-15,43-45,47-50,53,55-56,58H,4-10,13,16-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCC(O)C(=O)OC(COC(=O)CCCCCCCC(O)C(O)CCCCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-9-11-12-13-14-15-16-17-18-22-29-36-47(58)54(61)64-43(41-62-51(59)38-31-25-19-23-28-35-45(56)44(55)34-27-21-10-8-5-2)42-63-52(60)39-32-26-20-24-30-37-48-49(65-48)40-50-53(66-50)46(57)33-6-3/h11-12,14-15,43-45,47-50,53,55-56,58H,4-10,13,16-42H2,1-3H3/b12-11?,15-14?/t43?,44?,45?,47?,48?,49?,50?,53? |
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| 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][CH2:22][CH2:29][CH2:36][CH:47]([C:54](=[O:61])[O:64][CH:43]([CH2:41][O:62][C:51]([CH2:38][CH2:31][CH2:25][CH2:19][CH2:23][CH2:28][CH2:35][CH:45]([CH:44]([CH2:34][CH2:27][CH2:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])[CH2:42][O:63][C:52]([CH2:39][CH2:32][CH2:26][CH2:20][CH2:24][CH2:30][CH2:37][CH:48]1[CH:49]([CH2:40][CH:50]2[CH:53]([C:46]([CH2:33][CH2:6][CH3:3])=[O:57])[O:66]2)[O:65]1)=[O:60])[OH:58] |
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