| Properties | Image |
|---|
| MNX_ID | MNXM1181352 |
 |
| reference | envipathM:...33751016fec8 |
| formula | C41H56O15 |
| global charge | 0 |
| mol weight | 788.884 |
| InChIKey | QMVIGBAWQSJASB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H56O15/c1-19-36(48)27(43)14-34(51-19)56-38-29(45)16-35(54-30(38)17-42)55-37-20(2)52-33(15-28(37)44)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/h11,17,19-20,22-26,30-31,33-38,46,48-49H,5-10,12-16,18H2,1-4H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(=O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C=O)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H56O15/c1-19-36(48)27(43)14-34(51-19)56-38-29(45)16-35(54-30(38)17-42)55-37-20(2)52-33(15-28(37)44)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/h11,17,19-20,22-26,30-31,33-38,46,48-49H,5-10,12-16,18H2,1-4H3/t19?,20?,22?,23?,24?,25?,26?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:36]([OH:48])[C:27](=[O:43])[CH2:14][CH:34]([O:56][CH:38]2[C:29](=[O:45])[CH2:16][CH:35]([O:55][CH:37]3[CH:20]([CH3:2])[O:52][CH:33]([O:53][CH:23]4[CH2:7][CH2:9][C:39]5([CH3:3])[CH:22]([CH2:5][CH2:6][CH:25]6[CH:26]5[CH2:13][CH:31]([OH:46])[C:40]5([CH3:4])[CH:24]([C:21]7=[CH:11][C:32](=[O:47])[O:50][CH2:18]7)[CH2:8][CH2:10][C:41]65[OH:49])[CH2:12]4)[CH2:15][C:28]3=[O:44])[O:54][CH:30]2[CH:17]=[O:42])[O:51]1 |
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