CID 42608174

(+)-2-sterpurene-6,12,15-triol

Structural Information

Molecular Formula
C15H24O3
SMILES
C[C@@]12CC[C@@]1(C(=C3C[C@@](C[C@H]3C2)(C)CO)CO)O
InChI
InChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1
InChIKey
AWMMKZCBBAJJAU-HJPIBITLSA-N
Compound name
(3R,6S,8S,10S)-2,10-bis(hydroxymethyl)-6,10-dimethyltricyclo[6.3.0.03,6]undec-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.17255 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 162.9
[M+Na]+ 275.16177 169.6
[M-H]- 251.16527 164.5
[M+NH4]+ 270.20637 181.6
[M+K]+ 291.13571 167.4
[M+H-H2O]+ 235.16981 156.5
[M+HCOO]- 297.17075 175.5
[M+CH3COO]- 311.18640 192.2
[M+Na-2H]- 273.14722 166.7
[M]+ 252.17200 169.8
[M]- 252.17310 169.8
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.