| Properties | Image |
|---|
| MNX_ID | MNXM1177162 |
 |
| reference | envipathM:...e38c1826e8a6 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | KYUFOPOHBVXWRI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(59)64-43(41-62-50(57)37-30-25-21-23-29-36-47-49(66-47)40-48-46(65-48)35-9-6-3)42-63-51(58)38-32-26-28-34-45(56)54(61)53(60)44(55)33-27-22-11-8-5-2/h12-13,15-16,22,27,43-49,55-56H,4-11,14,17-21,23-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCC(O)C(=O)C(=O)C(O)CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(59)64-43(41-62-50(57)37-30-25-21-23-29-36-47-49(66-47)40-48-46(65-48)35-9-6-3)42-63-51(58)38-32-26-28-34-45(56)54(61)53(60)44(55)33-27-22-11-8-5-2/h12-13,15-16,22,27,43-49,55-56H,4-11,14,17-21,23-26,28-42H2,1-3H3/b13-12?,16-15?,27-22?/t43?,44?,45?,46?,47?,48?,49? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:24][CH2:31][CH2:39][C:52](=[O:59])[O:64][CH:43]([CH2:41][O:62][C:50]([CH2:37][CH2:30][CH2:25][CH2:21][CH2:23][CH2:29][CH2:36][CH:47]1[CH:49]([CH2:40][CH:48]2[CH:46]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:57])[CH2:42][O:63][C:51]([CH2:38][CH2:32][CH2:26][CH2:28][CH2:34][CH:45]([C:54]([C:53]([CH:44]([CH2:33][CH:27]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:60])=[O:61])[OH:56])=[O:58] |
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