CID 102389

3285-87-8

Structural Information

Molecular Formula
C24H34O3
SMILES
CCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C(=O)C)C)C
InChI
InChI=1S/C24H34O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h6,8,17-18,20-21H,5,7,9-14H2,1-4H3/t17-,18-,20-,21-,23-,24+/m0/s1
InChIKey
HGXGILYYMJORSA-GBOSRWDWSA-N
Compound name
[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.2508 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.258076 194.0
[M+Na]+ 393.240018 198.1
[M-H]- 369.243524 197.9
[M+NH4]+ 388.284623 214.7
[M+K]+ 409.213958 193.1
[M+H-H2O]+ 353.248060 187.4
[M+HCOO]- 415.249001 203.1
[M+CH3COO]- 429.264651 220.7
[M+Na-2H]- 391.225466 191.6
[M]+ 370.25025142 190.7
[M]- 370.25134858 190.7
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.