| Properties | Image |
|---|
| MNX_ID | MNXM1174265 |
 |
| reference | envipathM:...37bfee537441 |
| formula | C45H73NO15 |
| global charge | 0 |
| mol weight | 868.071 |
| InChIKey | XVMFXNWDECAKTB-ICCBYBNOSA-N |
| InChI | InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h17,19-43,48-55H,6-16,18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
| SMILES | CC1CCC2C(C)C3C(CC4C5CCC6CC(OC7OC(CO)C(O)C(OC8OC(C=O)C(O)C(O)C8O)C7OC7OC(C)C(O)C(O)C7O)CC[C@]6(C)C5CC[C@@]43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h17,19-43,48-55H,6-16,18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44-,45-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH2:6][CH2:9][CH:27]2[CH:20]([CH3:2])[CH:31]3[CH:28]([CH2:15][CH:26]4[CH:24]5[CH2:8][CH2:7][CH:22]6[CH2:14][CH:23]([O:57][CH:43]7[CH:40]([O:61][CH:41]8[CH:37]([OH:54])[CH:35]([OH:52])[CH:32]([OH:49])[CH:21]([CH3:3])[O:56]8)[CH:39]([O:60][CH:42]8[CH:38]([OH:55])[CH:36]([OH:53])[CH:33]([OH:50])[CH:29]([CH:17]=[O:47])[O:58]8)[CH:34]([OH:51])[CH:30]([CH2:18][OH:48])[O:59]7)[CH2:10][CH2:12][C@:44]6([CH3:4])[CH:25]5[CH2:11][CH2:13][C@@:45]43[CH3:5])[N:46]2[CH2:16]1 |
|