| Properties | Image |
|---|
| MNX_ID | MNXM1174373 |
 |
| reference | envipathM:...e0cc8dbf98a8 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | IKPKZRBOYVNJKE-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-16-22-29-42(55)53(61)43(56)30-27-28-37-52(60)64-41(40-63-51(59)36-26-20-15-18-24-34-47-54(67-47)44(57)31-21-11-8-5-2)39-62-50(58)35-25-19-14-17-23-33-46-49(66-46)38-48-45(65-48)32-9-6-3/h12-13,21-22,29,31,41-42,44-49,53-55,57,61H,4-11,14-20,23-28,30,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CC(O)C(O)C(=O)CCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)COC(=O)CCCCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-16-22-29-42(55)53(61)43(56)30-27-28-37-52(60)64-41(40-63-51(59)36-26-20-15-18-24-34-47-54(67-47)44(57)31-21-11-8-5-2)39-62-50(58)35-25-19-14-17-23-33-46-49(66-46)38-48-45(65-48)32-9-6-3/h12-13,21-22,29,31,41-42,44-49,53-55,57,61H,4-11,14-20,23-28,30,32-40H2,1-3H3/b13-12?,29-22?,31-21?/t41?,42?,44?,45?,46?,47?,48?,49?,53?,54? |
 |
| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:16][CH:22]=[CH:29][CH:42]([CH:53]([C:43]([CH2:30][CH2:27][CH2:28][CH2:37][C:52](=[O:60])[O:64][CH:41]([CH2:39][O:62][C:50]([CH2:35][CH2:25][CH2:19][CH2:14][CH2:17][CH2:23][CH2:33][CH:46]1[CH:49]([CH2:38][CH:48]2[CH:45]([CH2:32][CH2:9][CH2:6][CH3:3])[O:65]2)[O:66]1)=[O:58])[CH2:40][O:63][C:51]([CH2:36][CH2:26][CH2:20][CH2:15][CH2:18][CH2:24][CH2:34][CH:47]1[CH:54]([CH:44]([CH:31]=[CH:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:57])[O:67]1)=[O:59])=[O:56])[OH:61])[OH:55] |
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