| Properties | Image |
|---|
| MNX_ID | MNXM1173746 |
 |
| reference | envipathM:...88861869664f |
| formula | C54H94O13 |
| global charge | 0 |
| mol weight | 951.333 |
| InChIKey | ROMRIOLYICDOKQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-20-26-31-42(55)51(60)54(61)64-41(39-62-49(58)36-29-22-19-21-28-35-46-52(66-46)43(56)32-25-11-8-5-2)40-63-50(59)37-30-24-23-27-33-44(57)53-48(67-53)38-47-45(65-47)34-9-6-3/h12-13,15-16,41-48,51-53,55-57,60H,4-11,14,17-40H2,1-3H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(O)C(=O)OC(COC(=O)CCCCCCCC1OC1C(O)CCCCCC)COC(=O)CCCCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C54H94O13/c1-4-7-10-12-13-14-15-16-17-18-20-26-31-42(55)51(60)54(61)64-41(39-62-49(58)36-29-22-19-21-28-35-46-52(66-46)43(56)32-25-11-8-5-2)40-63-50(59)37-30-24-23-27-33-44(57)53-48(67-53)38-47-45(65-47)34-9-6-3/h12-13,15-16,41-48,51-53,55-57,60H,4-11,14,17-40H2,1-3H3/b13-12?,16-15?/t41?,42?,43?,44?,45?,46?,47?,48?,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][CH2:20][CH2:26][CH2:31][CH:42]([CH:51]([C:54](=[O:61])[O:64][CH:41]([CH2:39][O:62][C:49]([CH2:36][CH2:29][CH2:22][CH2:19][CH2:21][CH2:28][CH2:35][CH:46]1[CH:52]([CH:43]([CH2:32][CH2:25][CH2:11][CH2:8][CH2:5][CH3:2])[OH:56])[O:66]1)=[O:58])[CH2:40][O:63][C:50]([CH2:37][CH2:30][CH2:24][CH2:23][CH2:27][CH2:33][CH:44]([CH:53]1[CH:48]([CH2:38][CH:47]2[CH:45]([CH2:34][CH2:9][CH2:6][CH3:3])[O:65]2)[O:67]1)[OH:57])=[O:59])[OH:60])[OH:55] |
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