| Properties | Image |
|---|
| MNX_ID | MNXM113925 |
 |
| reference | chebi:66321 |
| formula | C30H48O6 |
| global charge | 0 |
| mol weight | 504.708 |
| InChIKey | NFPZOORPDJBGME-BLOZSHLCSA-N |
| InChI | InChI=1S/C30H48O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(21(30)17(16)2)7-8-20-28(27,5)11-10-19-26(3,15-31)23(33)22(32)24(34)29(19,20)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19+,20+,21+,22+,23-,24-,26+,27-,28-,29+,30+/m1/s1 |
| SMILES | C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O6/c1-16-9-12-30(25(35)36)14-13-27(4)18(21(30)17(16)2)7-8-20-28(27,5)11-10-19-26(3,15-31)23(33)22(32)24(34)29(19,20)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19+,20+,21+,22+,23-,24-,26+,27-,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:16]1[CH2:9][CH2:12][C@:30]2([C:25](=[O:35])[OH:36])[CH2:14][CH2:13][C@:27]3([CH3:4])[C:18](=[CH:7][CH2:8][C@H:20]4[C@@:28]3([CH3:5])[CH2:11][CH2:10][C@H:19]3[C@:26]([CH3:3])([CH2:15][OH:31])[C@H:23]([OH:33])[C@H:22]([OH:32])[C@@H:24]([OH:34])[C@@:29]34[CH3:6])[C@@H:21]2[C@H:17]1[CH3:2] |
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