| Properties | Image |
|---|
| MNX_ID | MNXM1173503 |
 |
| reference | envipathM:...fd5e1f4ceff4 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XVTTUZDNOUEUGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-15-25-34-44-45(65-44)35-26-18-13-20-28-37-48(57)62-39-42(64-54(61)50(59)43(56)32-24-17-12-16-23-31-41(55)30-22-11-8-5-2)40-63-49(58)38-29-21-14-19-27-36-47-53(67-47)51(60)52-46(66-52)33-9-6-3/h15,22-23,25,30-31,41-47,51-53,55-56,60H,4-14,16-21,24,26-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)C(=O)C(O)CCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-15-25-34-44-45(65-44)35-26-18-13-20-28-37-48(57)62-39-42(64-54(61)50(59)43(56)32-24-17-12-16-23-31-41(55)30-22-11-8-5-2)40-63-49(58)38-29-21-14-19-27-36-47-53(67-47)51(60)52-46(66-52)33-9-6-3/h15,22-23,25,30-31,41-47,51-53,55-56,60H,4-14,16-21,24,26-29,32-40H2,1-3H3/b25-15?,30-22?,31-23?/t41?,42?,43?,44?,45?,46?,47?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:15]=[CH:25][CH2:34][CH:44]1[CH:45]([CH2:35][CH2:26][CH2:18][CH2:13][CH2:20][CH2:28][CH2:37][C:48](=[O:57])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:49]([CH2:38][CH2:29][CH2:21][CH2:14][CH2:19][CH2:27][CH2:36][CH:47]2[CH:53]([CH:51]([CH:52]3[CH:46]([CH2:33][CH2:9][CH2:6][CH3:3])[O:66]3)[OH:60])[O:67]2)=[O:58])[O:64][C:54]([C:50]([CH:43]([CH2:32][CH2:24][CH2:17][CH2:12][CH2:16][CH:23]=[CH:31][CH:41]([CH:30]=[CH:22][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])=[O:61])[O:65]1 |
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