| Properties | Image |
|---|
| MNX_ID | MNXM101876 |
 |
| reference | chebi:67951 |
| formula | C30H46O4 |
| global charge | 0 |
| mol weight | 470.694 |
| InChIKey | RWFVBIQKMCLKMM-CARKBDGISA-N |
| InChI | InChI=1S/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,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)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O4/c1-18-9-14-30(25(33)34)16-15-28(5)20(24(30)19(18)2)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h7,18-19,21-22,24,31H,8-17H2,1-6H3,(H,33,34)/t18-,19+,21-,22-,24+,26+,27+,28-,29-,30+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:18]1[CH2:9][CH2:14][C@:30]2([C:25](=[O:33])[OH:34])[CH2:16][CH2:15][C@:28]3([CH3:5])[C:20](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:12][CH2:11][C:23](=[O:32])[C@@:27]([CH3:4])([CH2:17][OH:31])[C@@H:21]5[CH2:10][CH2:13][C@:29]43[CH3:6])[C@@H:24]2[C@H:19]1[CH3:2] |
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