CID 129908204

Jinfushanencins d

Structural Information

Molecular Formula
C30H50O4
SMILES
CC(CCC=C(CO)CO)C1CC[C@@]2([C@@]1(CC([C@@]3([C@H]2CC=C4[C@H]3CCC(C4(C)C)O)C)O)C)C
InChI
InChI=1S/C30H50O4/c1-19(8-7-9-20(17-31)18-32)21-14-15-28(4)24-12-10-22-23(11-13-25(33)27(22,2)3)30(24,6)26(34)16-29(21,28)5/h9-10,19,21,23-26,31-34H,7-8,11-18H2,1-6H3/t19?,21?,23-,24+,25?,26?,28+,29-,30+/m1/s1
InChIKey
SGTGQJZTWORHCG-VYUZZMEDSA-N
Compound name
(8S,9R,10R,13R,14S)-17-[7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.3709 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.37818 221.4
[M+Na]+ 497.36012 224.3
[M-H]- 473.36362 219.3
[M+NH4]+ 492.40472 239.6
[M+K]+ 513.33406 217.3
[M+H-H2O]+ 457.36816 217.5
[M+HCOO]- 519.36910 220.6
[M+CH3COO]- 533.38475 234.6
[M+Na-2H]- 495.34557 216.2
[M]+ 474.37035 216.3
[M]- 474.37145 216.3
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.