| Properties | Image |
|---|
| MNX_ID | MNXM1194344 |
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| reference | envipathM:...9de96810c0bd |
| formula | C54H96O12 |
| global charge | 0 |
| mol weight | 937.35 |
| InChIKey | QCPSYFIYNZCQLZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H96O12/c1-4-7-10-14-23-32-45-46(64-45)33-24-15-12-17-26-35-49(57)61-40-44(63-51(59)37-28-20-19-22-30-43(56)39-38-42(55)29-21-11-8-5-2)41-62-50(58)36-27-18-13-16-25-34-48-54(66-48)52(60)53-47(65-53)31-9-6-3/h14,23,42-48,52-56,60H,4-13,15-22,24-41H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)C1OC1CCCC)OC(=O)CCCCCCC(O)CCC(O)CCCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H96O12/c1-4-7-10-14-23-32-45-46(64-45)33-24-15-12-17-26-35-49(57)61-40-44(63-51(59)37-28-20-19-22-30-43(56)39-38-42(55)29-21-11-8-5-2)41-62-50(58)36-27-18-13-16-25-34-48-54(66-48)52(60)53-47(65-53)31-9-6-3/h14,23,42-48,52-56,60H,4-13,15-22,24-41H2,1-3H3/b23-14?/t42?,43?,44?,45?,46?,47?,48?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:10][CH:14]=[CH:23][CH2:32][CH:45]1[CH:46]([CH2:33][CH2:24][CH2:15][CH2:12][CH2:17][CH2:26][CH2:35][C:49](=[O:57])[O:61][CH2:40][CH:44]([CH2:41][O:62][C:50]([CH2:36][CH2:27][CH2:18][CH2:13][CH2:16][CH2:25][CH2:34][CH:48]2[CH:54]([CH:52]([CH:53]3[CH:47]([CH2:31][CH2:9][CH2:6][CH3:3])[O:65]3)[OH:60])[O:66]2)=[O:58])[O:63][C:51]([CH2:37][CH2:28][CH2:20][CH2:19][CH2:22][CH2:30][CH:43]([CH2:39][CH2:38][CH:42]([CH2:29][CH2:21][CH2:11][CH2:8][CH2:5][CH3:2])[OH:55])[OH:56])=[O:59])[O:64]1 |
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