CID 487265

(3s,10s,13s,14r)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-ol

Structural Information

Molecular Formula
C22H36O
SMILES
C[C@@]12CCC[C@]1(C3=C(CC2)[C@]4(CC[C@@H](C(C4CC3)(C)C)O)C)C
InChI
InChI=1S/C22H36O/c1-19(2)17-8-7-16-15(21(17,4)14-10-18(19)23)9-13-20(3)11-6-12-22(16,20)5/h17-18,23H,6-14H2,1-5H3/t17?,18-,20-,21+,22-/m0/s1
InChIKey
HAWNQTYJOSRINP-VJYFKPMHSA-N
Compound name
(3S,10S,13S,14R)-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2766 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.28388 181.2
[M+Na]+ 339.26582 187.8
[M-H]- 315.26932 184.6
[M+NH4]+ 334.31042 207.8
[M+K]+ 355.23976 181.2
[M+H-H2O]+ 299.27386 174.7
[M+HCOO]- 361.27480 189.5
[M+CH3COO]- 375.29045 190.2
[M+Na-2H]- 337.25127 182.3
[M]+ 316.27605 174.9
[M]- 316.27715 174.9
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.