CID 229021

Methandriol

Structural Information

Molecular Formula
C20H32O2
SMILES
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)O
InChI
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey
WRWBCPJQPDHXTJ-DTMQFJJTSA-N
Compound name
(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

148
References

1370
Patents

304.24023 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 176.7
[M+Na]+ 327.22945 185.3
[M+NH4]+ 322.27405 190.7
[M+K]+ 343.20339 174.3
[M-H]- 303.23295 179.0
[M+Na-2H]- 325.21490 180.1
[M]+ 304.23968 179.0
[M]- 304.24078 179.0
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

patents stripe