| Properties | Image |
|---|
| MNX_ID | MNXM1176973 |
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| reference | envipathM:...585b7f29fcb6 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | XPEMFWOQCNMMNM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-48(59)64-41(39-62-47(58)37-30-25-23-27-33-43(56)51-50(67-51)42(55)32-26-11-8-5-2)40-63-54(61)44(57)34-28-22-24-29-36-46-53(66-46)49(60)52-45(65-52)35-9-6-3/h12-13,26,32,41-46,49-53,55-57,60H,4-11,14-25,27-31,33-40H2,1-3H3 |
| SMILES | CCCCC=CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC(O)C1OC1C(O)C=CCCCC)COC(=O)C(O)CCCCCCC1OC1C(O)C1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-21-31-38-48(59)64-41(39-62-47(58)37-30-25-23-27-33-43(56)51-50(67-51)42(55)32-26-11-8-5-2)40-63-54(61)44(57)34-28-22-24-29-36-46-53(66-46)49(60)52-45(65-52)35-9-6-3/h12-13,26,32,41-46,49-53,55-57,60H,4-11,14-25,27-31,33-40H2,1-3H3/b13-12?,32-26?/t41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:31][CH2:38][C:48](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:30][CH2:25][CH2:23][CH2:27][CH2:33][CH:43]([CH:51]1[CH:50]([CH:42]([CH:32]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[O:67]1)[OH:56])=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:34][CH2:28][CH2:22][CH2:24][CH2:29][CH2:36][CH:46]1[CH:53]([CH:49]([CH:52]2[CH:45]([CH2:35][CH2:9][CH2:6][CH3:3])[O:65]2)[OH:60])[O:66]1)[OH:57])=[O:61] |
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