| Properties | Image |
|---|
| MNX_ID | MNXM1178755 |
 |
| reference | envipathM:...d1b8c8c38bb6 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | FVNDZYLEEKXELI-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-48(58)64-41(40-63-54(61)49(59)42(55)33-26-25-29-35-45-44(65-45)34-27-21-10-8-5-2)39-62-47(57)37-30-24-20-22-28-36-46-52(66-46)50(60)53-51(67-53)43(56)32-6-3/h11-12,14-15,21,27,41-42,44-46,49-53,55,59-60H,4-10,13,16-20,22-26,28-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(O)C1OC1C(=O)CCC)COC(=O)C(O)C(O)CCCCCC1OC1CC=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-48(58)64-41(40-63-54(61)49(59)42(55)33-26-25-29-35-45-44(65-45)34-27-21-10-8-5-2)39-62-47(57)37-30-24-20-22-28-36-46-52(66-46)50(60)53-51(67-53)43(56)32-6-3/h11-12,14-15,21,27,41-42,44-46,49-53,55,59-60H,4-10,13,16-20,22-26,28-40H2,1-3H3/b12-11?,15-14?,27-21?/t41?,42?,44?,45?,46?,49?,50?,51?,52?,53? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:31][CH2:38][C:48](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:28][CH2:36][CH:46]1[CH:52]([CH:50]([CH:53]2[CH:51]([C:43]([CH2:32][CH2:6][CH3:3])=[O:56])[O:67]2)[OH:60])[O:66]1)=[O:57])[CH2:40][O:63][C:54]([CH:49]([CH:42]([CH2:33][CH2:26][CH2:25][CH2:29][CH2:35][CH:45]1[CH:44]([CH2:34][CH:27]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)[OH:55])[OH:59])=[O:61] |
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