CID 12136712

Dtxsid601119707

Structural Information

Molecular Formula
C24H32O5
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)OC(=O)C
InChI
InChI=1S/C24H32O5/c1-15(25)24(29-16(2)26)11-8-21-20-5-4-17-14-23(27-12-13-28-23)10-7-18(17)19(20)6-9-22(21,24)3/h6,20-21H,4-5,7-14H2,1-3H3/t20-,21+,22+,24+/m1/s1
InChIKey
ZGGAHACLOAUQSQ-VCHRRKICSA-N
Compound name
[(8S,13S,14S,17R)-17-acetyl-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

400.22498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23226 196.8
[M+Na]+ 423.21420 203.7
[M+NH4]+ 418.25880 208.8
[M+K]+ 439.18814 196.8
[M-H]- 399.21770 201.0
[M+Na-2H]- 421.19965 197.9
[M]+ 400.22443 199.2
[M]- 400.22553 199.2
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

patents stripe