| Properties | Image |
|---|
| MNX_ID | MNXM1190165 |
 |
| reference | envipathM:...121386ca3af6 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CTBMIVRUESTAIB-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-8-14-22-30-45-46(65-45)31-23-16-12-19-25-33-50(58)62-39-43(64-52(60)35-27-18-11-9-10-15-21-29-42(56)37-36-41(55)28-5-2)40-63-51(59)34-26-20-13-17-24-32-47-48(66-47)38-49-54(67-49)53(61)44(57)6-3/h14,22,36-37,41-49,53-57,61H,4-13,15-21,23-35,38-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)C(O)CC)OC(=O)CCCCCCCCCC(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-8-14-22-30-45-46(65-45)31-23-16-12-19-25-33-50(58)62-39-43(64-52(60)35-27-18-11-9-10-15-21-29-42(56)37-36-41(55)28-5-2)40-63-51(59)34-26-20-13-17-24-32-47-48(66-47)38-49-54(67-49)53(61)44(57)6-3/h14,22,36-37,41-49,53-57,61H,4-13,15-21,23-35,38-40H2,1-3H3/b22-14?,37-36?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:8][CH:14]=[CH:22][CH2:30][CH:45]1[CH:46]([CH2:31][CH2:23][CH2:16][CH2:12][CH2:19][CH2:25][CH2:33][C:50](=[O:58])[O:62][CH2:39][CH:43]([CH2:40][O:63][C:51]([CH2:34][CH2:26][CH2:20][CH2:13][CH2:17][CH2:24][CH2:32][CH:47]2[CH:48]([CH2:38][CH:49]3[CH:54]([CH:53]([CH:44]([CH2:6][CH3:3])[OH:57])[OH:61])[O:67]3)[O:66]2)=[O:59])[O:64][C:52]([CH2:35][CH2:27][CH2:18][CH2:11][CH2:9][CH2:10][CH2:15][CH2:21][CH2:29][CH:42]([CH:37]=[CH:36][CH:41]([CH2:28][CH2:5][CH3:2])[OH:55])[OH:56])=[O:60])[O:65]1 |
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