| Properties | Image |
|---|
| MNX_ID | MNXM1183779 |
 |
| reference | envipathM:...585107a55097 |
| formula | C41H58O15 |
| global charge | 0 |
| mol weight | 790.9 |
| InChIKey | OVWKRIWRRBSWPL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O15/c1-19-37(55-34-16-29(45)38(20(2)52-34)56-35-14-27(43)36(48)30(17-42)54-35)28(44)15-33(51-19)53-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(46)40(4)24(8-10-41(25,40)49)21-11-32(47)50-18-21/h11,19-20,22-26,29-31,33-35,37-38,42,45-46,49H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(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/C41H58O15/c1-19-37(55-34-16-29(45)38(20(2)52-34)56-35-14-27(43)36(48)30(17-42)54-35)28(44)15-33(51-19)53-23-7-9-39(3)22(12-23)5-6-25-26(39)13-31(46)40(4)24(8-10-41(25,40)49)21-11-32(47)50-18-21/h11,19-20,22-26,29-31,33-35,37-38,42,45-46,49H,5-10,12-18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,29?,30?,31?,33?,34?,35?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:37]([O:55][CH:34]2[CH2:16][CH:29]([OH:45])[CH:38]([O:56][CH:35]3[CH2:14][C:27](=[O:43])[C:36](=[O:48])[CH:30]([CH2:17][OH:42])[O:54]3)[CH:20]([CH3:2])[O:52]2)[C:28](=[O:44])[CH2:15][CH:33]([O:53][CH:23]2[CH2:7][CH2:9][C:39]3([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]4[CH:26]3[CH2:13][CH:31]([OH:46])[C:40]3([CH3:4])[CH:24]([C:21]5=[CH:11][C:32](=[O:47])[O:50][CH2:18]5)[CH2:8][CH2:10][C:41]43[OH:49])[CH2:12]2)[O:51]1 |
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