| Properties | Image |
|---|
| MNX_ID | MNXM1187621 |
 |
| reference | envipathM:...6adbaf88f580 |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | RBRAKZOSFCCWPO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-9-15-24-33-45-46(65-45)34-26-20-23-32-43(56)52(60)54(61)63-40-42(64-51(59)37-28-18-13-11-12-16-22-31-41(55)30-21-10-8-5-2)39-62-50(58)36-27-19-14-17-25-35-47-48(66-47)38-49-53(67-49)44(57)29-6-3/h15,21-22,24,30-31,41-49,53,55-57H,4-14,16-20,23,25-29,32-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCC(O)C(=O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-9-15-24-33-45-46(65-45)34-26-20-23-32-43(56)52(60)54(61)63-40-42(64-51(59)37-28-18-13-11-12-16-22-31-41(55)30-21-10-8-5-2)39-62-50(58)36-27-19-14-17-25-35-47-48(66-47)38-49-53(67-49)44(57)29-6-3/h15,21-22,24,30-31,41-49,53,55-57H,4-14,16-20,23,25-29,32-40H2,1-3H3/b24-15?,30-21?,31-22?/t41?,42?,43?,44?,45?,46?,47?,48?,49?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:24][CH2:33][CH:45]1[CH:46]([CH2:34][CH2:26][CH2:20][CH2:23][CH2:32][CH:43]([C:52]([C:54](=[O:61])[O:63][CH2:40][CH:42]([CH2:39][O:62][C:50]([CH2:36][CH2:27][CH2:19][CH2:14][CH2:17][CH2:25][CH2:35][CH:47]2[CH:48]([CH2:38][CH:49]3[CH:53]([CH:44]([CH2:29][CH2:6][CH3:3])[OH:57])[O:67]3)[O:66]2)=[O:58])[O:64][C:51]([CH2:37][CH2:28][CH2:18][CH2:13][CH2:11][CH2:12][CH2:16][CH:22]=[CH:31][CH:41]([CH:30]=[CH:21][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])=[O:60])[OH:56])[O:65]1 |
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