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

1
References

7
Patents

550.3142 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.321476 228.1
[M+Na]+ 573.303418 230.1
[M-H]- 549.306924 233.7
[M+NH4]+ 568.348023 239.6
[M+K]+ 589.277358 228.4
[M+H-H2O]+ 533.311460 223.9
[M+HCOO]- 595.312401 224.2
[M+CH3COO]- 609.328051 231.9
[M+Na-2H]- 571.288866 221.9
[M]+ 550.31365142 223.5
[M]- 550.31474858 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.