CID 101615259

Dtxsid501121551

Structural Information

Molecular Formula
C23H32O5S
SMILES
C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)S(=O)(=O)C
InChI
InChI=1S/C23H32O5S/c1-21-8-4-15(24)12-14(21)13-18(29(3,26)27)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)28-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
InChIKey
BMMQQKJCVORDCC-RJKHXGPOSA-N
Compound name
(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-methylsulfonylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

420.19705 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20433 197.3
[M+Na]+ 443.18627 204.0
[M-H]- 419.18977 203.8
[M+NH4]+ 438.23087 219.2
[M+K]+ 459.16021 200.3
[M+H-H2O]+ 403.19431 194.2
[M+HCOO]- 465.19525 200.4
[M+CH3COO]- 479.21090 205.9
[M+Na-2H]- 441.17172 198.6
[M]+ 420.19650 196.4
[M]- 420.19760 196.4
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.