| Properties | Image |
|---|
| MNX_ID | MNXM1172836 |
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| reference | envipathM:...2280baa403bf |
| formula | C54H90O13 |
| global charge | 0 |
| mol weight | 947.301 |
| InChIKey | XKCUHGUQPKPBAP-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-31-38-48(58)64-41(39-62-47(57)37-30-24-21-22-28-36-46-53(67-46)50(60)52-45(66-52)34-9-6-3)40-63-54(61)49(59)42(55)32-27-25-29-35-44-51(65-44)43(56)33-26-11-8-5-2/h12-13,15-16,26,33,41-46,49,51-53,55-56,59H,4-11,14,17-25,27-32,34-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1C(=O)C1OC1CCCC)COC(=O)C(O)C(O)CCCCCC1OC1C(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O13/c1-4-7-10-12-13-14-15-16-17-18-19-20-23-31-38-48(58)64-41(39-62-47(57)37-30-24-21-22-28-36-46-53(67-46)50(60)52-45(66-52)34-9-6-3)40-63-54(61)49(59)42(55)32-27-25-29-35-44-51(65-44)43(56)33-26-11-8-5-2/h12-13,15-16,26,33,41-46,49,51-53,55-56,59H,4-11,14,17-25,27-32,34-40H2,1-3H3/b13-12?,16-15?,33-26?/t41?,42?,43?,44?,45?,46?,49?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:12]=[CH:13][CH2:14][CH:15]=[CH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:23][CH2:31][CH2:38][C:48](=[O:58])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:30][CH2:24][CH2:21][CH2:22][CH2:28][CH2:36][CH:46]1[CH:53]([C:50]([CH:52]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:66]2)=[O:60])[O:67]1)=[O:57])[CH2:40][O:63][C:54]([CH:49]([CH:42]([CH2:32][CH2:27][CH2:25][CH2:29][CH2:35][CH:44]1[CH:51]([CH:43]([CH:33]=[CH:26][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:65]1)[OH:55])[OH:59])=[O:61] |
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