CID 131751395

Bauer-7-ene-3beta,16alpha-diol

Structural Information

Molecular Formula
C30H50O2
SMILES
CC1CCC2(C(CC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)O)C
InChI
InChI=1S/C30H50O2/c1-18-11-14-28(6)24(32)17-30(8)21-9-10-22-26(3,4)23(31)13-15-27(22,5)20(21)12-16-29(30,7)25(28)19(18)2/h9,18-20,22-25,31-32H,10-17H2,1-8H3
InChIKey
RSBGODIKJNCIHA-UHFFFAOYSA-N
Compound name
4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picene-3,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.388346 210.6
[M+Na]+ 465.370288 216.1
[M-H]- 441.373794 212.0
[M+NH4]+ 460.414893 232.5
[M+K]+ 481.344228 209.2
[M+H-H2O]+ 425.378330 201.1
[M+HCOO]- 487.379271 208.6
[M+CH3COO]- 501.394921 215.7
[M+Na-2H]- 463.355736 208.8
[M]+ 442.38052142 202.4
[M]- 442.38161858 202.4
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.