| Properties | Image |
|---|
| MNX_ID | MNXM1185052 |
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| reference | envipathM:...cff1f2754980 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | VFQQDSCUVCAGJY-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-2-3-4-5-6-9-18-29-43(57)30-19-13-15-25-37-53(61)64-44(41-62-51(59)35-23-12-7-10-21-32-46-47(65-46)33-22-11-8-17-27-38-55)42-63-52(60)36-24-16-14-20-31-45(58)54-50(67-54)40-49-48(66-49)34-26-28-39-56/h5-6,11,18,22,29,38,43-50,54,56-58H,2-4,7-10,12-17,19-21,23-28,30-37,39-42H2,1H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC=O)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-2-3-4-5-6-9-18-29-43(57)30-19-13-15-25-37-53(61)64-44(41-62-51(59)35-23-12-7-10-21-32-46-47(65-46)33-22-11-8-17-27-38-55)42-63-52(60)36-24-16-14-20-31-45(58)54-50(67-54)40-49-48(66-49)34-26-28-39-56/h5-6,11,18,22,29,38,43-50,54,56-58H,2-4,7-10,12-17,19-21,23-28,30-37,39-42H2,1H3/b6-5?,22-11?,29-18?/t43?,44?,45?,46?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]=[CH:6][CH2:9][CH:18]=[CH:29][CH:43]([CH2:30][CH2:19][CH2:13][CH2:15][CH2:25][CH2:37][C:53](=[O:61])[O:64][CH:44]([CH2:41][O:62][C:51]([CH2:35][CH2:23][CH2:12][CH2:7][CH2:10][CH2:21][CH2:32][CH:46]1[CH:47]([CH2:33][CH:22]=[CH:11][CH2:8][CH2:17][CH2:27][CH:38]=[O:55])[O:65]1)=[O:59])[CH2:42][O:63][C:52]([CH2:36][CH2:24][CH2:16][CH2:14][CH2:20][CH2:31][CH:45]([CH:54]1[CH:50]([CH2:40][CH:49]2[CH:48]([CH2:34][CH2:26][CH2:28][CH2:39][OH:56])[O:66]2)[O:67]1)[OH:58])=[O:60])[OH:57] |
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