CID 17865583

(6s,8r,9s,13s,14s,17r)-17-ethynyl-6,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one

Structural Information

Molecular Formula
C20H26O3
SMILES
CC12CCC3C4CCC(=O)C=C4C(CC3C1CCC2(C#C)O)O
InChI
InChI=1S/C20H26O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,10,13-15,17-18,22-23H,4-9,11H2,2H3
InChIKey
RONQVEAZNZIVHW-UHFFFAOYSA-N
Compound name
17-ethynyl-6,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

314.1882 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.8
[M+Na]+ 337.17742 184.5
[M+NH4]+ 332.22202 183.3
[M+K]+ 353.15136 173.1
[M-H]- 313.18092 169.2
[M+Na-2H]- 335.16287 174.4
[M]+ 314.18765 174.4
[M]- 314.18875 174.4
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.