| Properties | Image |
|---|
| MNX_ID | MNXM148358 |
 |
| reference | metacycM:CPD-16625 |
| formula | C41H66O15 |
| global charge | 0 |
| mol weight | 798.964 |
| InChIKey | ZDHABOVHCKZVCM-QANQYWCOSA-N |
| InChI | InChI=1S/C41H66O15/c1-35(17-43)12-23-37(3,13-24(35)46)25(47)14-40(6)39(5)10-7-21-36(2,22(39)11-27-41(23,40)56-27)9-8-26(38(21,4)18-44)54-34-32(28(48)19(45)16-52-34)55-33-31(51)30(50)29(49)20(15-42)53-33/h17,19-34,42,44-51H,7-16,18H2,1-6H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+/m0/s1 |
| SMILES | C[C@]1(CO)[C@@H]2CC[C@]3(C)[C@H](C[C@H]4O[C@]45[C@@H]4C[C@@](C)(C=O)[C@@H](O)C[C@]4(C)[C@@H](O)C[C@]53C)[C@@]2(C)CC[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O15/c1-35(17-43)12-23-37(3,13-24(35)46)25(47)14-40(6)39(5)10-7-21-36(2,22(39)11-27-41(23,40)56-27)9-8-26(38(21,4)18-44)54-34-32(28(48)19(45)16-52-34)55-33-31(51)30(50)29(49)20(15-42)53-33/h17,19-34,42,44-51H,7-16,18H2,1-6H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29+,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:35]1([CH:17]=[O:43])[CH2:12][C@@H:23]2[C@:37]([CH3:3])([CH2:13][C@@H:24]1[OH:46])[C@@H:25]([OH:47])[CH2:14][C@@:40]1([CH3:6])[C@:39]3([CH3:5])[CH2:10][CH2:7][C@@H:21]4[C@:36]([CH3:2])([CH2:9][CH2:8][C@H:26]([O:54][C@H:34]5[C@H:32]([O:55][C@H:33]6[C@H:31]([OH:51])[C@@H:30]([OH:50])[C@H:29]([OH:49])[C@@H:20]([CH2:15][OH:42])[O:53]6)[C@@H:28]([OH:48])[C@@H:19]([OH:45])[CH2:16][O:52]5)[C@@:38]4([CH3:4])[CH2:18][OH:44])[C@H:22]3[CH2:11][C@@H:27]3[C@:41]21[O:56]3 |
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