| Properties | Image |
|---|
| MNX_ID | MNXM1138895 |
 |
| reference | envipathM:...6ff7bfface46 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | CIYCEEMQYSMYGC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-37-50(59)64-41(39-62-49(58)36-30-23-20-21-29-35-46-52(66-46)43(56)32-26-10-8-5-2)40-63-54(61)44(57)33-27-24-25-28-34-45-47(65-45)38-48-53(67-48)51(60)42(55)6-3/h11-12,14-15,26,32,41-42,44-48,51-53,55,57,60H,4-10,13,16-25,27-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(=O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1CC1OC1C(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-37-50(59)64-41(39-62-49(58)36-30-23-20-21-29-35-46-52(66-46)43(56)32-26-10-8-5-2)40-63-54(61)44(57)33-27-24-25-28-34-45-47(65-45)38-48-53(67-48)51(60)42(55)6-3/h11-12,14-15,26,32,41-42,44-48,51-53,55,57,60H,4-10,13,16-25,27-31,33-40H2,1-3H3/b12-11?,15-14?,32-26?/t41?,42?,44?,45?,46?,47?,48?,51?,52?,53? |
 |
| 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][CH2:19][CH2:22][CH2:31][CH2:37][C:50](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:30][CH2:23][CH2:20][CH2:21][CH2:29][CH2:35][CH:46]1[CH:52]([C:43]([CH:32]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])=[O:56])[O:66]1)=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:33][CH2:27][CH2:24][CH2:25][CH2:28][CH2:34][CH:45]1[CH:47]([CH2:38][CH:48]2[CH:53]([CH:51]([CH:42]([CH2:6][CH3:3])[OH:55])[OH:60])[O:67]2)[O:65]1)[OH:57])=[O:61] |
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