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 195.0
[M+Na]+ 407.21929 198.5
[M-H]- 383.22279 198.4
[M+NH4]+ 402.26389 214.7
[M+K]+ 423.19323 193.2
[M+H-H2O]+ 367.22733 188.7
[M+HCOO]- 429.22827 203.1
[M+CH3COO]- 443.24392 221.9
[M+Na-2H]- 405.20474 192.2
[M]+ 384.22952 190.4
[M]- 384.23062 190.4
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.