| Properties | Image |
|---|
| MNX_ID | MNXM148194 |
 |
| reference | metacycM:CPD-17499 |
| formula | C41H66O12 |
| global charge | 0 |
| mol weight | 750.967 |
| InChIKey | MPTYJKBYKQUVNK-CDUDFNLVSA-N |
| InChI | InChI=1S/C41H66O12/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-31(42)23-38-29(3)36(47)25-41(51,53-38)26-37(48)35(46)20-19-32(43)21-33(44)22-34(45)24-39(49)52-30(4)28(2)40(27)50/h5-6,8,10-18,27-38,40,42-48,50-51H,7,9,19-26H2,1-4H3/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,40+,41-/m0/s1 |
| SMILES | C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C41H66O12/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-31(42)23-38-29(3)36(47)25-41(51,53-38)26-37(48)35(46)20-19-32(43)21-33(44)22-34(45)24-39(49)52-30(4)28(2)40(27)50/h5-6,8,10-18,27-38,40,42-48,50-51H,7,9,19-26H2,1-4H3/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29+,30-,31-,32+,33+,34+,35+,36-,37+,38-,40+,41-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:27]1/[CH:17]=[CH:15]/[CH:13]=[CH:11]/[CH2:9][CH2:7]/[CH:5]=[CH:6]/[CH:8]=[CH:10]/[CH:12]=[CH:14]/[CH:16]=[CH:18]/[C@H:31]([OH:42])[CH2:23][C@H:38]2[C@H:29]([CH3:3])[C@@H:36]([OH:47])[CH2:25][C@@:41]([OH:51])([CH2:26][C@@H:37]([OH:48])[C@H:35]([OH:46])[CH2:20][CH2:19][C@@H:32]([OH:43])[CH2:21][C@@H:33]([OH:44])[CH2:22][C@@H:34]([OH:45])[CH2:24][C:39](=[O:49])[O:52][C@@H:30]([CH3:4])[C@H:28]([CH3:2])[C@@H:40]1[OH:50])[O:53]2 |
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