CID 78189386

(3beta,24s)-lanost-7,9(11)-diene-3,24,25-triol-

Structural Information

Molecular Formula
C30H50O3
SMILES
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C
InChI
InChI=1S/C30H50O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h10,14,19-20,23-25,31-33H,9,11-13,15-18H2,1-8H3
InChIKey
BLTRPNNWBNKAEH-UHFFFAOYSA-N
Compound name
6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylheptane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.376 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.38328 212.3
[M+Na]+ 481.36522 217.8
[M+NH4]+ 476.40982 224.5
[M+K]+ 497.33916 207.2
[M-H]- 457.36872 212.2
[M+Na-2H]- 479.35067 214.6
[M]+ 458.37545 213.6
[M]- 458.37655 213.6
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.