| Properties | Image |
|---|
| MNX_ID | MNXM1185203 |
 |
| reference | envipathM:...6898450d507d |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | VDTMVXAPVMHJQG-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(62)66-43(41-64-50(60)37-30-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-65-51(61)38-31-26-25-29-36-46(57)53(63)48(59)40-49-54(67-49)47(58)33-6-3/h11-12,14-15,21,27,43-46,48-49,53-57,59,63H,4-10,13,16-20,22-26,28-42H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC(O)C(O)CC=CCCCC)COC(=O)CCCCCCC(O)C(O)C(O)CC1OC1C(=O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-32-39-52(62)66-43(41-64-50(60)37-30-24-20-22-28-35-45(56)44(55)34-27-21-10-8-5-2)42-65-51(61)38-31-26-25-29-36-46(57)53(63)48(59)40-49-54(67-49)47(58)33-6-3/h11-12,14-15,21,27,43-46,48-49,53-57,59,63H,4-10,13,16-20,22-26,28-42H2,1-3H3/b12-11?,15-14?,27-21?/t43?,44?,45?,46?,48?,49?,53?,54? |
 |
| 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][CH2:32][CH2:39][C:52](=[O:62])[O:66][CH:43]([CH2:41][O:64][C:50]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:28][CH2:35][CH:45]([CH:44]([CH2:34][CH:27]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:60])[CH2:42][O:65][C:51]([CH2:38][CH2:31][CH2:26][CH2:25][CH2:29][CH2:36][CH:46]([CH:53]([CH:48]([CH2:40][CH:49]1[CH:54]([C:47]([CH2:33][CH2:6][CH3:3])=[O:58])[O:67]1)[OH:59])[OH:63])[OH:57])=[O:61] |
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