U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H44O12
Molecular Weight 620.6846
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCILLIROSIDE

SMILES

[H][C@]12CC[C@]3(C)[C@H](CC[C@]3(O)[C@]1(O)C[C@@H](OC(C)=O)C4=C[C@H](CC[C@]24C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C6=COC(=O)C=C6

InChI

InChIKey=LSMIOFMZNVEEBR-ICLSSMQGSA-N
InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3/t18-,19+,21+,22+,23+,25+,26-,27+,28+,29-,30+,31-,32+/m0/s1

HIDE SMILES / InChI

Molecular Formula C32H44O12
Molecular Weight 620.6846
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2815004NHO
Record Status Validated (UNII)
Record Version