CID 3051373

67462-37-7

Structural Information

Molecular Formula
C24H32O4
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2C(=O)COC(=O)C=C)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C24H32O4/c1-4-22(27)28-14-21(26)20-8-7-18-17-6-5-15-13-16(25)9-11-23(15,2)19(17)10-12-24(18,20)3/h4,13,17-20H,1,5-12,14H2,2-3H3/t17-,18-,19-,20-,23-,24-/m0/s1
InChIKey
BIFACLOIZIKJPO-IGJOJHROSA-N
Compound name
[2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.23007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23735 196.1
[M+Na]+ 407.21929 203.2
[M+NH4]+ 402.26389 206.2
[M+K]+ 423.19323 194.7
[M-H]- 383.22279 196.8
[M+Na-2H]- 405.20474 196.4
[M]+ 384.22952 197.2
[M]- 384.23062 197.2
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

No patent data available for this compound.