CID 165342535

74332-34-6

Structural Information

Molecular Formula
C25H36O6
SMILES
C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2C(=O)C[C@]5([C@H]4CC[C@@]5(C6(OCCO6)C)O)C)OCCO3
InChI
InChI=1S/C25H36O6/c1-21-8-9-24(30-12-13-31-24)14-16(21)4-5-17-18-6-7-25(27,23(3)28-10-11-29-23)22(18,2)15-19(26)20(17)21/h4,17-18,20,27H,5-15H2,1-3H3/t17-,18-,20+,21-,22-,25+/m0/s1
InChIKey
GTRHCQDQZKVVMS-ABRRPEOJSA-N
Compound name
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2512 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25848 196.3
[M+Na]+ 455.24042 201.8
[M+NH4]+ 450.28502 210.3
[M+K]+ 471.21436 194.8
[M-H]- 431.24392 203.4
[M+Na-2H]- 453.22587 198.3
[M]+ 432.25065 199.7
[M]- 432.25175 199.7
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.