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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H30O16
Molecular Weight 610.5175
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RHODIOSIN

SMILES

C[C@@H]1O[C@@H](OC2=C(O)C3=C(C(=O)C(O)=C(O3)C4=CC=C(O)C=C4)C(O)=C2)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]1O

InChI

InChIKey=WXBBQBYCUTXTJQ-ULMXTSOFSA-N
InChI=1S/C27H30O16/c1-8-15(31)25(43-26-21(37)19(35)16(32)13(7-28)41-26)22(38)27(39-8)40-12-6-11(30)14-18(34)20(36)23(42-24(14)17(12)33)9-2-4-10(29)5-3-9/h2-6,8,13,15-16,19,21-22,25-33,35-38H,7H2,1H3/t8-,13+,15-,16+,19-,21+,22+,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H30O16
Molecular Weight 610.5175
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
BFG0D2RH6Z
Record Status Validated (UNII)
Record Version