| Properties | Image |
|---|
| MNX_ID | MNXM104756 |
 |
| reference | chebi:69000 |
| formula | C30H46O4 |
| global charge | 0 |
| mol weight | 470.694 |
| InChIKey | NWCFROOEYCWLBC-IXHDPRBMSA-N |
| InChI | InChI=1S/C30H46O4/c1-18(2)25(32)30(33)16-19(17-34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,18-21,23,33H,9-17H2,1-7H3/t19?,20-,21-,23-,27+,28-,29+,30?/m0/s1 |
| SMILES | CC(C)C(=O)C1(O)CC([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 |
MNX internals
| InChI (mnx) | InChI=1/C30H46O4/c1-18(2)25(32)30(33)16-19(17-34-30)20-10-14-29(7)22-8-9-23-26(3,4)24(31)12-13-27(23,5)21(22)11-15-28(20,29)6/h8,18-21,23,33H,9-17H2,1-7H3/t19?,20-,21-,23-,27+,28-,29+,30?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C:25]([C:30]1([OH:33])[CH2:16][CH:19]([C@@H:20]2[CH2:10][CH2:14][C@:29]3([CH3:7])[C:22]4=[CH:8][CH2:9][C@H:23]5[C:26]([CH3:3])([CH3:4])[C:24](=[O:31])[CH2:12][CH2:13][C@:27]5([CH3:5])[C@H:21]4[CH2:11][CH2:15][C@@:28]23[CH3:6])[CH2:17][O:34]1)=[O:32] |
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