CID 171118658
12beta, 20s,24r-trihydroxydammar-25-en-3-one
Structural Information
- Molecular Formula
- C30H50O4
- SMILES
- CC(=C)[C@@H](CC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)O)C)O)O
- InChI
- InChI=1S/C30H50O4/c1-18(2)20(31)10-16-30(8,34)19-9-14-29(7)25(19)21(32)17-23-27(5)13-12-24(33)26(3,4)22(27)11-15-28(23,29)6/h19-23,25,31-32,34H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,25-,27-,28+,29+,30-/m0/s1
- InChIKey
- OXZPLXVDJQSTLO-GRKAWUNASA-N
- Compound name
- (5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S,5R)-2,5-dihydroxy-6-methylhept-6-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 475.37818 | 218.6 |
[M+Na]+ | 497.36012 | 221.3 |
[M-H]- | 473.36362 | 217.4 |
[M+NH4]+ | 492.40472 | 237.3 |
[M+K]+ | 513.33406 | 215.6 |
[M+H-H2O]+ | 457.36816 | 215.9 |
[M+HCOO]- | 519.36910 | 216.5 |
[M+CH3COO]- | 533.38475 | 237.6 |
[M+Na-2H]- | 495.34557 | 214.9 |
[M]+ | 474.37035 | 212.8 |
[M]- | 474.37145 | 212.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.