| Properties | Image |
|---|
| MNX_ID | MNXM1193216 |
 |
| reference | envipathM:...d931d0de5f9d |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | KLMKAKBSGFBBGQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-3-5-31-48-50(66-48)39-51-49(67-51)34-22-10-7-13-24-36-53(60)63-41-43(64-54(61)37-25-16-19-30-45(58)44(57)29-18-15-17-28-42(56)27-4-2)40-62-52(59)35-23-12-6-9-20-32-46-47(65-46)33-21-11-8-14-26-38-55/h11,17-18,21,28-29,43-51,55,57-58H,3-10,12-16,19-20,22-27,30-41H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC=CCCCCO)OC(=O)CCCCCC(O)C(O)C=CCC=CC(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-3-5-31-48-50(66-48)39-51-49(67-51)34-22-10-7-13-24-36-53(60)63-41-43(64-54(61)37-25-16-19-30-45(58)44(57)29-18-15-17-28-42(56)27-4-2)40-62-52(59)35-23-12-6-9-20-32-46-47(65-46)33-21-11-8-14-26-38-55/h11,17-18,21,28-29,43-51,55,57-58H,3-10,12-16,19-20,22-27,30-41H2,1-2H3/b21-11?,28-17?,29-18?/t43?,44?,45?,46?,47?,48?,49?,50?,51? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:31][CH:48]1[CH:50]([CH2:39][CH:51]2[CH:49]([CH2:34][CH2:22][CH2:10][CH2:7][CH2:13][CH2:24][CH2:36][C:53](=[O:60])[O:63][CH2:41][CH:43]([CH2:40][O:62][C:52]([CH2:35][CH2:23][CH2:12][CH2:6][CH2:9][CH2:20][CH2:32][CH:46]3[CH:47]([CH2:33][CH:21]=[CH:11][CH2:8][CH2:14][CH2:26][CH2:38][OH:55])[O:65]3)=[O:59])[O:64][C:54]([CH2:37][CH2:25][CH2:16][CH2:19][CH2:30][CH:45]([CH:44]([CH:29]=[CH:18][CH2:15][CH:17]=[CH:28][C:42]([CH2:27][CH2:4][CH3:2])=[O:56])[OH:57])[OH:58])=[O:61])[O:67]2)[O:66]1 |
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