CID 102406

3386-05-8

Structural Information

Molecular Formula
C24H34O4
SMILES
C[C@H]1C[C@H]2[C@@H]3CCC(=CCOC(=O)C)[C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C
InChI
InChI=1S/C24H34O4/c1-14-11-18-19-6-5-16(8-10-28-15(2)25)24(19,4)13-21(27)22(18)23(3)9-7-17(26)12-20(14)23/h8,12,14,18-19,21-22,27H,5-7,9-11,13H2,1-4H3/t14-,18-,19-,21-,22+,23-,24+/m0/s1
InChIKey
NLUGGDMYWGAERB-TVHFUECYSA-N
Compound name
2-[(6S,8S,9S,10R,11S,13S,14S)-11-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2457 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.252976 195.4
[M+Na]+ 409.234918 200.4
[M-H]- 385.238424 198.2
[M+NH4]+ 404.279523 215.3
[M+K]+ 425.208858 194.5
[M+H-H2O]+ 369.242960 189.8
[M+HCOO]- 431.243901 202.8
[M+CH3COO]- 445.259551 221.4
[M+Na-2H]- 407.220366 192.3
[M]+ 386.24515142 191.2
[M]- 386.24624858 191.2
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.