| Properties | Image |
|---|
| MNX_ID | MNXM1191293 |
 |
| reference | envipathM:...6ca7ba38e3d7 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | KLZBLCBCFZRQJO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h11,19-20,22-24,27-30,32-37,42,45-46,48-50H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C3CC(O)C3(C)C(C5=CC(=O)OC5)CCC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-36(56-33-15-27(45)37(20(2)53-33)57-34-13-25(43)35(48)28(17-42)55-34)26(44)14-32(52-19)54-23-6-8-38(3)22(12-23)5-9-40(49)29(38)16-30(46)39(4)24(7-10-41(39,40)50)21-11-31(47)51-18-21/h11,19-20,22-24,27-30,32-37,42,45-46,48-50H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([O:56][CH:33]2[CH2:15][CH:27]([OH:45])[CH:37]([O:57][CH:34]3[CH2:13][C:25](=[O:43])[CH:35]([OH:48])[CH:28]([CH2:17][OH:42])[O:55]3)[CH:20]([CH3:2])[O:53]2)[C:26](=[O:44])[CH2:14][CH:32]([O:54][CH:23]2[CH2:6][CH2:8][C:38]3([CH3:3])[CH:22]([CH2:5][CH2:9][C:40]4([OH:49])[CH:29]3[CH2:16][CH:30]([OH:46])[C:39]3([CH3:4])[CH:24]([C:21]5=[CH:11][C:31](=[O:47])[O:51][CH2:18]5)[CH2:7][CH2:10][C:41]34[OH:50])[CH2:12]2)[O:52]1 |
|