| Properties | Image |
|---|
| MNX_ID | MNXM1189490 |
 |
| reference | envipathM:...3eb8913f4423 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | PWPBWMLIZARUBV-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-48(60)64-41(40-63-47(59)37-30-25-24-27-34-44(57)51-50(66-51)43(56)33-26-10-8-5-2)39-62-46(58)36-29-23-20-21-28-35-45-53(65-45)49(61)54-52(67-54)42(55)32-6-3/h11-12,26,33,41-45,49-57,61H,4-10,13-25,27-32,34-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(O)CCC)COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-22-31-38-48(60)64-41(40-63-47(59)37-30-25-24-27-34-44(57)51-50(66-51)43(56)33-26-10-8-5-2)39-62-46(58)36-29-23-20-21-28-35-45-53(65-45)49(61)54-52(67-54)42(55)32-6-3/h11-12,26,33,41-45,49-57,61H,4-10,13-25,27-32,34-40H2,1-3H3/b12-11?,33-26?/t41?,42?,43?,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][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:22][CH2:31][CH2:38][C:48](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:46]([CH2:36][CH2:29][CH2:23][CH2:20][CH2:21][CH2:28][CH2:35][CH:45]1[CH:53]([CH:49]([CH:54]2[CH:52]([CH:42]([CH2:32][CH2:6][CH3:3])[OH:55])[O:67]2)[OH:61])[O:65]1)=[O:58])[CH2:40][O:63][C:47]([CH2:37][CH2:30][CH2:25][CH2:24][CH2:27][CH2:34][CH:44]([CH:51]1[CH:50]([CH:43]([CH:33]=[CH:26][CH2:10][CH2:8][CH2:5][CH3:2])[OH:56])[O:66]1)[OH:57])=[O:59] |
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