| Properties | Image |
|---|
| MNX_ID | MNXM1178704 |
 |
| reference | envipathM:...218b5ce72fff |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | GXDNDVYLXVPKMZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-15-26-35-45-51(65-45)43(56)32-24-18-20-27-36-47(58)62-39-42(64-49(60)38-29-17-14-12-13-16-23-31-41(55)30-22-11-8-5-2)40-63-48(59)37-28-21-19-25-33-44(57)52-54(67-52)50(61)53-46(66-53)34-9-6-3/h15,22-23,26,30-31,41-46,51-57H,4-14,16-21,24-25,27-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C(=O)C1OC1CCCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-15-26-35-45-51(65-45)43(56)32-24-18-20-27-36-47(58)62-39-42(64-49(60)38-29-17-14-12-13-16-23-31-41(55)30-22-11-8-5-2)40-63-48(59)37-28-21-19-25-33-44(57)52-54(67-52)50(61)53-46(66-53)34-9-6-3/h15,22-23,26,30-31,41-46,51-57H,4-14,16-21,24-25,27-29,32-40H2,1-3H3/b26-15?,30-22?,31-23?/t41?,42?,43?,44?,45?,46?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:26][CH2:35][CH:45]1[CH:51]([CH:43]([CH2:32][CH2:24][CH2:18][CH2:20][CH2:27][CH2:36][C:47](=[O:58])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:48]([CH2:37][CH2:28][CH2:21][CH2:19][CH2:25][CH2:33][CH:44]([CH:52]2[CH:54]([C:50]([CH:53]3[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]3)=[O:61])[O:67]2)[OH:57])=[O:59])[O:64][C:49]([CH2:38][CH2:29][CH2:17][CH2:14][CH2:12][CH2:13][CH2:16][CH:23]=[CH:31][CH:41]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])=[O:60])[OH:56])[O:65]1 |
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