| Properties | Image |
|---|
| MNX_ID | MNXM1181027 |
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| reference | envipathM:...2f81d8a5d469 |
| formula | C54H90O12 |
| global charge | 0 |
| mol weight | 931.302 |
| InChIKey | UXOAODKJAQVHGM-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H90O12/c1-4-7-9-15-25-34-44-45(63-44)35-26-17-14-19-27-36-47(57)60-39-42(62-49(59)38-29-18-13-11-12-16-23-32-41(55)31-22-10-8-5-2)40-61-48(58)37-28-21-20-24-33-43(56)50-52(65-50)54-53-51(66-53)46(64-54)30-6-3/h15,22-23,25,31-32,41-46,50-56H,4-14,16-21,24,26-30,33-40H2,1-3H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCC(O)C1OC1C1OC(CCC)C2OC21)OC(=O)CCCCCCCC=CC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H90O12/c1-4-7-9-15-25-34-44-45(63-44)35-26-17-14-19-27-36-47(57)60-39-42(62-49(59)38-29-18-13-11-12-16-23-32-41(55)31-22-10-8-5-2)40-61-48(58)37-28-21-20-24-33-43(56)50-52(65-50)54-53-51(66-53)46(64-54)30-6-3/h15,22-23,25,31-32,41-46,50-56H,4-14,16-21,24,26-30,33-40H2,1-3H3/b25-15?,31-22?,32-23?/t41?,42?,43?,44?,45?,46?,50?,51?,52?,53?,54? |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:7][CH2:9][CH:15]=[CH:25][CH2:34][CH:44]1[CH:45]([CH2:35][CH2:26][CH2:17][CH2:14][CH2:19][CH2:27][CH2:36][C:47](=[O:57])[O:60][CH2:39][CH:42]([CH2:40][O:61][C:48]([CH2:37][CH2:28][CH2:21][CH2:20][CH2:24][CH2:33][CH:43]([CH:50]2[CH:52]([CH:54]3[CH:53]4[CH:51]([CH:46]([CH2:30][CH2:6][CH3:3])[O:64]3)[O:66]4)[O:65]2)[OH:56])=[O:58])[O:62][C:49]([CH2:38][CH2:29][CH2:18][CH2:13][CH2:11][CH2:12][CH2:16][CH:23]=[CH:32][CH:41]([CH:31]=[CH:22][CH2:10][CH2:8][CH2:5][CH3:2])[OH:55])=[O:59])[O:63]1 |
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