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]+ 475.378176 221.4
[M+Na]+ 497.360118 224.3
[M-H]- 473.363624 219.3
[M+NH4]+ 492.404723 239.6
[M+K]+ 513.334058 217.3
[M+H-H2O]+ 457.368160 217.5
[M+HCOO]- 519.369101 220.6
[M+CH3COO]- 533.384751 234.6
[M+Na-2H]- 495.345566 216.2
[M]+ 474.37035142 216.3
[M]- 474.37144858 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.