| Properties | Image |
|---|
| MNX_ID | MNXM1174198 |
 |
| reference | envipathM:...8674dd4fe406 |
| formula | C54H94O12 |
| global charge | 0 |
| mol weight | 935.334 |
| InChIKey | LNAGDTRKMZEDTD-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(59)64-43(41-62-50(57)37-30-25-21-23-29-36-47-46(65-47)35-28-22-11-8-5-2)42-63-51(58)38-32-26-27-33-44(55)53(60)54(61)45(56)40-49-48(66-49)34-9-6-3/h12-13,22,28,43,45-49,53-54,56,60-61H,4-11,14-21,23-27,29-42H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCC(=O)C(O)C(O)C(O)CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O12/c1-4-7-10-12-13-14-15-16-17-18-19-20-24-31-39-52(59)64-43(41-62-50(57)37-30-25-21-23-29-36-47-46(65-47)35-28-22-11-8-5-2)42-63-51(58)38-32-26-27-33-44(55)53(60)54(61)45(56)40-49-48(66-49)34-9-6-3/h12-13,22,28,43,45-49,53-54,56,60-61H,4-11,14-21,23-27,29-42H2,1-3H3/b13-12?,28-22?/t43?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][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:46]([CH2:35][CH:28]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:57])[CH2:42][O:63][C:51]([CH2:38][CH2:32][CH2:26][CH2:27][CH2:33][C:44]([CH:53]([CH:54]([CH:45]([CH2:40][CH:49]1[CH:48]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]1)[OH:56])[OH:61])[OH:60])=[O:55])=[O:58] |
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