CID 101913094

M-xviii

Structural Information

Molecular Formula
C21H30O5
SMILES
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(CO)O)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C
InChI
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,12,14-15,17-18,22,25-26H,3-4,6,8-11H2,1-2H3/t12-,14-,15-,17?,18+,19-,20-,21-/m0/s1
InChIKey
YKQDRSAOXBPFTF-RCUGDYLNSA-N
Compound name
(5S,8S,9S,10R,13S,14S,17R)-17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.20932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21660 187.6
[M+Na]+ 385.19854 193.0
[M-H]- 361.20204 188.1
[M+NH4]+ 380.24314 208.7
[M+K]+ 401.17248 187.5
[M+H-H2O]+ 345.20658 183.2
[M+HCOO]- 407.20752 192.9
[M+CH3COO]- 421.22317 211.0
[M+Na-2H]- 383.18399 187.5
[M]+ 362.20877 181.8
[M]- 362.20987 181.8
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.