CID 75227415
Gadermandiol
Structural Information
- Molecular Formula
- C30H48O3
- SMILES
- CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C
- InChI
- InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23,25,32-33H,9,11-13,15-18H2,1-8H3
- InChIKey
- AAJIHHYEPHRIET-UHFFFAOYSA-N
- Compound name
- 17-(5,6-dihydroxy-6-methylheptan-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 457.36763 | 216.1 |
[M+Na]+ | 479.34957 | 220.1 |
[M-H]- | 455.35307 | 217.0 |
[M+NH4]+ | 474.39417 | 236.3 |
[M+K]+ | 495.32351 | 214.5 |
[M+H-H2O]+ | 439.35761 | 211.7 |
[M+HCOO]- | 501.35855 | 218.2 |
[M+CH3COO]- | 515.37420 | 235.9 |
[M+Na-2H]- | 477.33502 | 214.1 |
[M]+ | 456.35980 | 213.4 |
[M]- | 456.36090 | 213.4 |