| Properties | Image |
|---|
| MNX_ID | MNXM1190656 |
 |
| reference | envipathM:...e68f7b21771a |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | VOVGKYJSTFWGJJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-12-16-22-30-43(56)44(57)31-23-21-29-37-52(60)64-41(39-62-50(58)35-27-19-13-17-25-33-46-45(65-46)32-24-15-10-8-5-2)40-63-51(59)36-28-20-14-18-26-34-47-48(66-47)38-49-54(67-49)53(61)42(55)6-3/h11-12,15,22,24,30,41,43-49,53-54,56-57,61H,4-10,13-14,16-21,23,25-29,31-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)CCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC=CCCCC)COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(=O)CC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-12-16-22-30-43(56)44(57)31-23-21-29-37-52(60)64-41(39-62-50(58)35-27-19-13-17-25-33-46-45(65-46)32-24-15-10-8-5-2)40-63-51(59)36-28-20-14-18-26-34-47-48(66-47)38-49-54(67-49)53(61)42(55)6-3/h11-12,15,22,24,30,41,43-49,53-54,56-57,61H,4-10,13-14,16-21,23,25-29,31-40H2,1-3H3/b12-11?,24-15?,30-22?/t41?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:16][CH:22]=[CH:30][CH:43]([CH:44]([CH2:31][CH2:23][CH2:21][CH2:29][CH2:37][C:52](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:50]([CH2:35][CH2:27][CH2:19][CH2:13][CH2:17][CH2:25][CH2:33][CH:46]1[CH:45]([CH2:32][CH:24]=[CH:15][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:51]([CH2:36][CH2:28][CH2:20][CH2:14][CH2:18][CH2:26][CH2:34][CH:47]1[CH:48]([CH2:38][CH:49]2[CH:54]([CH:53]([C:42]([CH2:6][CH3:3])=[O:55])[OH:61])[O:67]2)[O:66]1)=[O:59])[OH:57])[OH:56] |
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