| Properties | Image |
|---|
| MNX_ID | MNXM1187031 |
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| reference | envipathM:...61a25c96304d |
| formula | C41H58O15 |
| global charge | 0 |
| mol weight | 790.9 |
| InChIKey | RBVLFDITLJTALB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O15/c1-19-25(22-11-34(48)50-18-22)7-8-28(43)26-6-5-23-12-24(9-10-41(23,4)27(26)13-29(19)44)53-35-15-31(46)39(20(2)51-35)55-36-16-32(47)40(21(3)52-36)56-37-14-30(45)38(49)33(17-42)54-37/h11,19-21,23-27,32-33,35-40,42,47,49H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C(=O)CCC(C5=CC(=O)OC5)C(C)C(=O)CC43)C2)CC(=O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H58O15/c1-19-25(22-11-34(48)50-18-22)7-8-28(43)26-6-5-23-12-24(9-10-41(23,4)27(26)13-29(19)44)53-35-15-31(46)39(20(2)51-35)55-36-16-32(47)40(21(3)52-36)56-37-14-30(45)38(49)33(17-42)54-37/h11,19-21,23-27,32-33,35-40,42,47,49H,5-10,12-18H2,1-4H3/t19?,20?,21?,23?,24?,25?,26?,27?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:25]([C:22]2=[CH:11][C:34](=[O:48])[O:50][CH2:18]2)[CH2:7][CH2:8][C:28](=[O:43])[CH:26]2[CH2:6][CH2:5][CH:23]3[CH2:12][CH:24]([O:53][CH:35]4[CH2:15][C:31](=[O:46])[CH:39]([O:55][CH:36]5[CH2:16][CH:32]([OH:47])[CH:40]([O:56][CH:37]6[CH2:14][C:30](=[O:45])[CH:38]([OH:49])[CH:33]([CH2:17][OH:42])[O:54]6)[CH:21]([CH3:3])[O:52]5)[CH:20]([CH3:2])[O:51]4)[CH2:9][CH2:10][C:41]3([CH3:4])[CH:27]2[CH2:13][C:29]1=[O:44] |
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