CID 15085867

54201-84-2

Structural Information

Molecular Formula
C24H34O5
SMILES
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]2(C4(OCCO4)C)O)CCC5=C3CCC6(C5)OCCO6
InChI
InChI=1S/C24H34O5/c1-21-8-5-18-17-6-9-23(28-13-14-29-23)15-16(17)3-4-19(18)20(21)7-10-24(21,25)22(2)26-11-12-27-22/h5,19-20,25H,3-4,6-15H2,1-2H3/t19-,20+,21+,24-/m1/s1
InChIKey
VTRLTZGPHRKHDY-MDAIXWLXSA-N
Compound name
(8S,13S,14S,17R)-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

402.24063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.24791 192.5
[M+Na]+ 425.22985 199.5
[M+NH4]+ 420.27445 206.5
[M+K]+ 441.20379 193.2
[M-H]- 401.23335 200.9
[M+Na-2H]- 423.21530 194.6
[M]+ 402.24008 196.4
[M]- 402.24118 196.4
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

patents stripe