| Properties | Image |
|---|
| MNX_ID | MNXM1187932 |
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| reference | envipathM:...5d2974250f1e |
| formula | C54H92O13 |
| global charge | 0 |
| mol weight | 949.317 |
| InChIKey | IGZFGEWWXJKMRH-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H92O13/c1-3-5-7-14-23-33-45-46(65-45)34-24-16-12-19-26-36-48(58)62-40-43(64-50(60)38-28-18-11-9-10-15-22-31-42(56)30-21-8-6-4-2)41-63-49(59)37-27-20-13-17-25-35-47-53(66-47)51(61)54-52(67-54)44(57)32-29-39-55/h14,21-23,30-31,42-47,51-57,61H,3-13,15-20,24-29,32-41H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCCO)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H92O13/c1-3-5-7-14-23-33-45-46(65-45)34-24-16-12-19-26-36-48(58)62-40-43(64-50(60)38-28-18-11-9-10-15-22-31-42(56)30-21-8-6-4-2)41-63-49(59)37-27-20-13-17-25-35-47-53(66-47)51(61)54-52(67-54)44(57)32-29-39-55/h14,21-23,30-31,42-47,51-57,61H,3-13,15-20,24-29,32-41H2,1-2H3/b23-14?,30-21?,31-22?/t42?,43?,44?,45?,46?,47?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:14]=[CH:23][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:24][CH2:16][CH2:12][CH2:19][CH2:26][CH2:36][C:48](=[O:58])[O:62][CH2:40][CH:43]([CH2:41][O:63][C:49]([CH2:37][CH2:27][CH2:20][CH2:13][CH2:17][CH2:25][CH2:35][CH:47]2[CH:53]([CH:51]([CH:54]3[CH:52]([CH:44]([CH2:32][CH2:29][CH2:39][OH:55])[OH:57])[O:67]3)[OH:61])[O:66]2)=[O:59])[O:64][C:50]([CH2:38][CH2:28][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH:22]=[CH:31][CH:42]([CH:30]=[CH:21][CH2:8][CH2:6][CH2:4][CH3:2])[OH:56])=[O:60])[O:65]1 |
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