CID 10573

11-epi-sarnovid

Structural Information

Molecular Formula
C30H46O9
SMILES
CC1[C@@H](C(C([C@@H](O1)O[C@@H]2CC[C@]3([C@@H](C2)CCC4C3C(C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)OC)O
InChI
InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-23(28)21(31)13-29(3)19(8-10-30(20,29)35)16-11-22(32)37-14-16/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15?,17-,18-,19-,20?,21?,23?,24+,25?,26?,27+,28+,29-,30+/m1/s1
InChIKey
SOPZOCCINHAAOP-QPRDUAHASA-N
Compound name
3-[(3R,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-11,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.3142 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.32148 228.1
[M+Na]+ 573.30342 230.1
[M-H]- 549.30692 233.7
[M+NH4]+ 568.34802 239.6
[M+K]+ 589.27736 228.4
[M+H-H2O]+ 533.31146 223.9
[M+HCOO]- 595.31240 224.2
[M+CH3COO]- 609.32805 231.9
[M+Na-2H]- 571.28887 221.9
[M]+ 550.31365 223.5
[M]- 550.31475 223.5
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.