| Properties | Image |
|---|
| MNX_ID | MNXM101718 |
 |
| reference | chebi:67913 |
| formula | C30H48O5 |
| global charge | 0 |
| mol weight | 488.709 |
| InChIKey | RWNHLTKFBKYDOJ-LHFSSXJCSA-N |
| InChI | InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23+,26-,27-,28+,29+,30-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h7,19-23,31-33H,8-17H2,1-6H3,(H,34,35)/t19-,20+,21+,22+,23+,26-,27-,28+,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:11][CH2:13][C@:30]2([C:24](=[O:34])[OH:35])[CH2:14][CH2:12][C@:28]3([CH3:5])[C:18](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:16][C@@H:20]([OH:32])[C@@H:23]([OH:33])[C@@:27]([CH3:4])([CH2:17][OH:31])[C@@H:21]5[CH2:9][CH2:10][C@:29]43[CH3:6])[C@@H:19]2[CH2:15]1 |
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