| Properties | Image |
|---|
| MNX_ID | MNXM1195144 |
 |
| reference | envipathM:...7ceb131625c1 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | PHZJOGOGQITFAC-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-48(60)64-41(39-62-46(58)36-29-24-22-26-33-43(56)50-45(65-50)35-28-20-10-8-5-2)40-63-47(59)37-30-25-23-27-34-44(57)52-54(67-52)49(61)53-51(66-53)42(55)32-6-3/h11-12,14-15,20,28,41-42,44-45,49-55,57,61H,4-10,13,16-19,21-27,29-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC(=O)C1OC1CC=CCCCC)COC(=O)CCCCCCC(O)C1OC1C(O)C1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-21-31-38-48(60)64-41(39-62-46(58)36-29-24-22-26-33-43(56)50-45(65-50)35-28-20-10-8-5-2)40-63-47(59)37-30-25-23-27-34-44(57)52-54(67-52)49(61)53-51(66-53)42(55)32-6-3/h11-12,14-15,20,28,41-42,44-45,49-55,57,61H,4-10,13,16-19,21-27,29-40H2,1-3H3/b12-11?,15-14?,28-20?/t41?,42?,44?,45?,49?,50?,51?,52?,53?,54? |
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| 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][CH2:21][CH2:31][CH2:38][C:48](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:46]([CH2:36][CH2:29][CH2:24][CH2:22][CH2:26][CH2:33][C:43]([CH:50]1[CH:45]([CH2:35][CH:28]=[CH:20][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:56])=[O:58])[CH2:40][O:63][C:47]([CH2:37][CH2:30][CH2:25][CH2:23][CH2:27][CH2:34][CH:44]([CH:52]1[CH:54]([CH:49]([CH:53]2[CH:51]([CH:42]([CH2:32][CH2:6][CH3:3])[OH:55])[O:66]2)[OH:61])[O:67]1)[OH:57])=[O:59] |
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