CID 154699862

Ns00117588

Structural Information

Molecular Formula
C24H34O6
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@](C4=CC(=O)C(C[C@]34C)O)(C)O)C)OC(=O)C
InChI
InChI=1S/C24H34O6/c1-13(25)24(30-14(2)26)9-7-17-15-11-23(5,29)20-10-18(27)19(28)12-21(20,3)16(15)6-8-22(17,24)4/h10,15-17,19,28-29H,6-9,11-12H2,1-5H3/t15-,16+,17+,19?,21-,22+,23-,24+/m1/s1
InChIKey
ORFMCUSRHZJDBM-DPSXXVMFSA-N
Compound name
[(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-2,6-dihydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.23553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24281 197.0
[M+Na]+ 441.22475 202.6
[M+NH4]+ 436.26935 208.1
[M+K]+ 457.19869 193.4
[M-H]- 417.22825 195.9
[M+Na-2H]- 439.21020 198.6
[M]+ 418.23498 197.7
[M]- 418.23608 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.