| Properties | Image |
|---|
| MNX_ID | MNXM1186915 |
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| reference | envipathM:...34240ef695aa |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | NSQWRMHGHVVETA-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-17-23-33-44-45(65-44)34-24-19-16-21-25-35-49(57)62-39-42(64-51(59)37-26-20-15-13-11-10-12-14-18-22-30-41(55)29-6-3)40-63-50(58)36-28-27-31-43(56)52(60)53(61)54-48(67-54)38-47-46(66-47)32-8-5-2/h12,14,17,23,41-48,52-56,60-61H,4-11,13,15-16,18-22,24-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCC(O)C(O)C(O)C1OC1CC1OC1CCCC)OC(=O)CCCCCCCC=CCCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-17-23-33-44-45(65-44)34-24-19-16-21-25-35-49(57)62-39-42(64-51(59)37-26-20-15-13-11-10-12-14-18-22-30-41(55)29-6-3)40-63-50(58)36-28-27-31-43(56)52(60)53(61)54-48(67-54)38-47-46(66-47)32-8-5-2/h12,14,17,23,41-48,52-56,60-61H,4-11,13,15-16,18-22,24-40H2,1-3H3/b14-12?,23-17?/t41?,42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:17]=[CH:23][CH2:33][CH:44]1[CH:45]([CH2:34][CH2:24][CH2:19][CH2:16][CH2:21][CH2:25][CH2:35][C:49](=[O:57])[O:62][CH2:39][CH:42]([CH2:40][O:63][C:50]([CH2:36][CH2:28][CH2:27][CH2:31][CH:43]([CH:52]([CH:53]([CH:54]2[CH:48]([CH2:38][CH:47]3[CH:46]([CH2:32][CH2:8][CH2:5][CH3:2])[O:66]3)[O:67]2)[OH:61])[OH:60])[OH:56])=[O:58])[O:64][C:51]([CH2:37][CH2:26][CH2:20][CH2:15][CH2:13][CH2:11][CH2:10][CH:12]=[CH:14][CH2:18][CH2:22][CH2:30][CH:41]([CH2:29][CH2:6][CH3:3])[OH:55])=[O:59])[O:65]1 |
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