| Properties | Image |
|---|
| MNX_ID | MNXM1181428 |
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| reference | envipathM:...13594ebc4343 |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | XFCMHKNWCBSJFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-12-13-16-22-30-42(55)31-23-19-20-29-38-52(59)63-43(40-61-51(58)37-28-18-14-17-26-35-47-50(65-47)39-49-46(64-49)34-9-6-3)41-62-54(60)45(57)33-25-21-24-32-44(56)53-48(66-53)36-27-15-11-8-5-2/h15,27,42-50,53,55-57H,4-14,16-26,28-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCC(O)C(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCC)OC(=O)CCCCCCC(O)CCCCCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-12-13-16-22-30-42(55)31-23-19-20-29-38-52(59)63-43(40-61-51(58)37-28-18-14-17-26-35-47-50(65-47)39-49-46(64-49)34-9-6-3)41-62-54(60)45(57)33-25-21-24-32-44(56)53-48(66-53)36-27-15-11-8-5-2/h15,27,42-50,53,55-57H,4-14,16-26,28-41H2,1-3H3/b27-15?/t42?,43?,44?,45?,46?,47?,48?,49?,50?,53? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH2:12][CH2:13][CH2:16][CH2:22][CH2:30][CH:42]([CH2:31][CH2:23][CH2:19][CH2:20][CH2:29][CH2:38][C:52](=[O:59])[O:63][CH:43]([CH2:40][O:61][C:51]([CH2:37][CH2:28][CH2:18][CH2:14][CH2:17][CH2:26][CH2:35][CH:47]1[CH:50]([CH2:39][CH:49]2[CH:46]([CH2:34][CH2:9][CH2:6][CH3:3])[O:64]2)[O:65]1)=[O:58])[CH2:41][O:62][C:54]([CH:45]([CH2:33][CH2:25][CH2:21][CH2:24][CH2:32][CH:44]([CH:53]1[CH:48]([CH2:36][CH:27]=[CH:15][CH2:11][CH2:8][CH2:5][CH3:2])[O:66]1)[OH:56])[OH:57])=[O:60])[OH:55] |
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