| Properties | Image |
|---|
| MNX_ID | MNXM1180944 |
 |
| reference | envipathM:...86ae196b7ff9 |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | CQTZYLMTFHJNIX-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-48(59)64-41(39-62-47(58)37-30-24-20-22-29-36-46-45(65-46)35-28-21-10-8-5-2)40-63-54(61)44(57)34-27-25-26-33-43(56)51-53(67-51)49(60)52-50(66-52)42(55)32-6-3/h11-12,14-15,41-46,49-53,55-57,60H,4-10,13,16-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC1OC1CCCCCCC)COC(=O)C(O)CCCCCC(O)C1OC1C(O)C1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-9-11-12-13-14-15-16-17-18-19-23-31-38-48(59)64-41(39-62-47(58)37-30-24-20-22-29-36-46-45(65-46)35-28-21-10-8-5-2)40-63-54(61)44(57)34-27-25-26-33-43(56)51-53(67-51)49(60)52-50(66-52)42(55)32-6-3/h11-12,14-15,41-46,49-53,55-57,60H,4-10,13,16-40H2,1-3H3/b12-11?,15-14?/t41?,42?,43?,44?,45?,46?,49?,50?,51?,52?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:11]=[CH:12][CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:23][CH2:31][CH2:38][C:48](=[O:59])[O:64][CH:41]([CH2:39][O:62][C:47]([CH2:37][CH2:30][CH2:24][CH2:20][CH2:22][CH2:29][CH2:36][CH:46]1[CH:45]([CH2:35][CH2:28][CH2:21][CH2:10][CH2:8][CH2:5][CH3:2])[O:65]1)=[O:58])[CH2:40][O:63][C:54]([CH:44]([CH2:34][CH2:27][CH2:25][CH2:26][CH2:33][CH:43]([CH:51]1[CH:53]([CH:49]([CH:52]2[CH:50]([CH:42]([CH2:32][CH2:6][CH3:3])[OH:55])[O:66]2)[OH:60])[O:67]1)[OH:56])[OH:57])=[O:61] |
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