| Properties | Image |
|---|
| MNX_ID | MNXM1196465 |
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| reference | envipathM:...8debefc1167d |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | ASFXSKSVMKZPHF-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-4-7-9-11-22-32-45(57)54(62)46(58)33-23-15-17-26-37-52(60)64-41-44(65-53(61)38-27-16-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)40-63-51(59)36-25-13-10-12-24-35-48-50(67-48)39-49-47(66-49)34-8-5-2/h11,20-22,29,31,42-45,47-50,54-57,62H,4-10,12-19,23-28,30,32-41H2,1-3H3 |
| SMILES | CCCCC=CCC(O)C(O)C(=O)CCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)C=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-4-7-9-11-22-32-45(57)54(62)46(58)33-23-15-17-26-37-52(60)64-41-44(65-53(61)38-27-16-14-19-30-43(56)31-21-18-20-29-42(55)28-6-3)40-63-51(59)36-25-13-10-12-24-35-48-50(67-48)39-49-47(66-49)34-8-5-2/h11,20-22,29,31,42-45,47-50,54-57,62H,4-10,12-19,23-28,30,32-41H2,1-3H3/b22-11?,29-20?,31-21?/t42?,43?,44?,45?,47?,48?,49?,50?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:22][CH2:32][CH:45]([CH:54]([C:46]([CH2:33][CH2:23][CH2:15][CH2:17][CH2:26][CH2:37][C:52](=[O:60])[O:64][CH2:41][CH:44]([CH2:40][O:63][C:51]([CH2:36][CH2:25][CH2:13][CH2:10][CH2:12][CH2:24][CH2:35][CH:48]1[CH:50]([CH2:39][CH:49]2[CH:47]([CH2:34][CH2:8][CH2:5][CH3:2])[O:66]2)[O:67]1)=[O:59])[O:65][C:53]([CH2:38][CH2:27][CH2:16][CH2:14][CH2:19][CH2:30][CH:43]([CH:31]=[CH:21][CH2:18][CH:20]=[CH:29][CH:42]([CH2:28][CH2:6][CH3:3])[OH:55])[OH:56])=[O:61])=[O:58])[OH:62])[OH:57] |
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