CID 24779646

(2s)-1-[(e)-[(1r,3as,7ar)-1-[(2r)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol

Structural Information

Molecular Formula
C29H48O2
SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3[C@H](CCC4=C3CCCC4)O)C
InChI
InChI=1S/C29H48O2/c1-20(9-7-17-28(2,3)31)25-14-15-26-22(11-8-18-29(25,26)4)19-24-23-12-6-5-10-21(23)13-16-27(24)30/h19-20,24-27,30-31H,5-18H2,1-4H3/b22-19+/t20-,24?,25-,26+,27+,29-/m1/s1
InChIKey
QFJUOTJDAYLASI-CFXULDKHSA-N
Compound name
(2S)-1-[(E)-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.36542 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.372696 215.2
[M+Na]+ 451.354638 213.7
[M-H]- 427.358144 216.9
[M+NH4]+ 446.399243 229.0
[M+K]+ 467.328578 206.7
[M+H-H2O]+ 411.362680 208.5
[M+HCOO]- 473.363621 217.5
[M+CH3COO]- 487.379271 228.2
[M+Na-2H]- 449.340086 208.0
[M]+ 428.36487142 205.0
[M]- 428.36596858 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.