CID 11820979
Cholestan-3-one, 7-hydroxy-, hydrazone, (5a,7b,8x,9x)-
Structural Information
- Molecular Formula
- C27H48N2O
- SMILES
- C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3C2[C@H](C[C@@H]4[C@@]3(CC/C(=N\N)/C4)C)O)C
- InChI
- InChI=1S/C27H48N2O/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29-28)15-19(26)16-24(25)30/h17-19,21-25,30H,6-16,28H2,1-5H3/b29-20+/t18-,19-,21-,22+,23?,24+,25?,26+,27-/m1/s1
- InChIKey
- RUPZAQGWEYDYHH-TWCHNSEJSA-N
- Compound name
- (3E,5R,7S,10S,13R,14S,17R)-3-hydrazinylidene-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 417.38396 | 208.4 |
[M+Na]+ | 439.36590 | 208.5 |
[M-H]- | 415.36940 | 210.1 |
[M+NH4]+ | 434.41050 | 226.6 |
[M+K]+ | 455.33984 | 202.6 |
[M+H-H2O]+ | 399.37394 | 201.8 |
[M+HCOO]- | 461.37488 | 214.2 |
[M+CH3COO]- | 475.39053 | 237.7 |
[M+Na-2H]- | 437.35135 | 202.1 |
[M]+ | 416.37613 | 199.2 |
[M]- | 416.37723 | 199.2 |
Literature stripe
Patent stripe
No patent data available for this compound.