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]+ 371.25808 194.0
[M+Na]+ 393.24002 198.1
[M-H]- 369.24352 197.9
[M+NH4]+ 388.28462 214.7
[M+K]+ 409.21396 193.1
[M+H-H2O]+ 353.24806 187.4
[M+HCOO]- 415.24900 203.1
[M+CH3COO]- 429.26465 220.7
[M+Na-2H]- 391.22547 191.6
[M]+ 370.25025 190.7
[M]- 370.25135 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.