CID 484429

Rynqigplmvfxfk-pgrdopggsa-n

Structural Information

Molecular Formula
C22H34O
SMILES
CCC1=CC2=C(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C(=C1O)C(C)C
InChI
InChI=1S/C22H34O/c1-7-15-13-17-16(19(14(2)3)20(15)23)9-10-18-21(4,5)11-8-12-22(17,18)6/h13-14,18,23H,7-12H2,1-6H3/t18-,22+/m0/s1
InChIKey
RYNQIGPLMVFXFK-PGRDOPGGSA-N
Compound name
(4bS,8aS)-3-ethyl-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.26096 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.26824 178.8
[M+Na]+ 337.25018 185.2
[M-H]- 313.25368 182.0
[M+NH4]+ 332.29478 199.6
[M+K]+ 353.22412 180.2
[M+H-H2O]+ 297.25822 172.7
[M+HCOO]- 359.25916 190.2
[M+CH3COO]- 373.27481 212.3
[M+Na-2H]- 335.23563 179.3
[M]+ 314.26041 176.4
[M]- 314.26151 176.4
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.