CID 171118936

2r-methyl-hop-22(29)-ene

Structural Information

Molecular Formula
C31H52
SMILES
C[C@H]1C[C@@]2([C@H]3CC[C@@H]4[C@]5(CCC([C@@H]5CC[C@]4([C@@]3(CC[C@H]2C(C1)(C)C)C)C)C(=C)C)C)C
InChI
InChI=1S/C31H52/c1-20(2)22-12-15-28(6)23(22)13-16-30(8)25(28)10-11-26-29(7)19-21(3)18-27(4,5)24(29)14-17-31(26,30)9/h21-26H,1,10-19H2,2-9H3/t21-,22?,23+,24+,25-,26-,28+,29+,30-,31-/m1/s1
InChIKey
WRWGAVHZMRVAHC-OUKUEWGWSA-N
Compound name
(3aS,5aR,5bR,7aS,10R,11aS,11bR,13aR,13bS)-5a,5b,8,8,10,11a,13b-heptamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.4069 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.41418 209.0
[M+Na]+ 447.39612 213.3
[M-H]- 423.39962 212.2
[M+NH4]+ 442.44072 234.1
[M+K]+ 463.37006 204.7
[M+H-H2O]+ 407.40416 199.7
[M+HCOO]- 469.40510 209.4
[M+CH3COO]- 483.42075 214.6
[M+Na-2H]- 445.38157 203.5
[M]+ 424.40635 199.6
[M]- 424.40745 199.6
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.