| Properties | Image |
|---|
| MNX_ID | MNXM113906 |
 |
| reference | chebi:67945 |
| formula | C30H46O4 |
| global charge | 0 |
| mol weight | 470.694 |
| InChIKey | IZWBODJDDBCDFA-DXEZAUPJSA-N |
| InChI | InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,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(=O)C[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8,19-22,31H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21-,22-,27+,28+,29-,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:25]1([CH3:2])[CH2:12][CH2:14][C@:30]2([C:24](=[O:33])[OH:34])[CH2:15][CH2:13][C@:27]3([CH3:5])[C:18](=[CH:8][CH2:9][C@H:21]4[C@@:28]3([CH3:6])[CH2:11][CH2:10][C@H:20]3[C:26]([CH3:3])([CH3:4])[C@@H:22]([OH:31])[CH2:16][C:23](=[O:32])[C@@:29]34[CH3:7])[C@@H:19]2[CH2:17]1 |
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