CID 139433957

Aef0117

Structural Information

Molecular Formula
C29H40O3
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCC5=CC=C(C=C5)OC)C)C
InChI
InChI=1S/C29H40O3/c1-19(30)25-11-12-26-24-10-7-21-17-23(32-18-20-5-8-22(31-4)9-6-20)13-15-28(21,2)27(24)14-16-29(25,26)3/h5-9,23-27H,10-18H2,1-4H3/t23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey
AAZPIQPULVRHOW-SFKJMYEFSA-N
Compound name
1-[(3S,8S,9S,10R,13S,14S,17S)-3-[(4-methoxyphenyl)methoxy]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

436.29776 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.30504 212.3
[M+Na]+ 459.28698 222.5
[M+NH4]+ 454.33158 224.2
[M+K]+ 475.26092 211.4
[M-H]- 435.29048 217.2
[M+Na-2H]- 457.27243 215.8
[M]+ 436.29721 215.4
[M]- 436.29831 215.4
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