CID 131751693

Anhydrosophoradiol

Structural Information

Molecular Formula
C30H48O
SMILES
CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(C=C1)C)C)C)(C)C)O)C)C
InChI
InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,15-16,21-24,31H,10-14,17-19H2,1-8H3
InChIKey
DAYKSLOBCZJGHS-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.3705 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.37778 205.0
[M+Na]+ 447.35972 211.6
[M-H]- 423.36322 208.1
[M+NH4]+ 442.40432 229.6
[M+K]+ 463.33366 204.5
[M+H-H2O]+ 407.36776 193.4
[M+HCOO]- 469.36870 206.1
[M+CH3COO]- 483.38435 211.2
[M+Na-2H]- 445.34517 205.8
[M]+ 424.36995 198.2
[M]- 424.37105 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.