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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O5
Molecular Weight 490.715
Optical Activity ( + )
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALSAMINAPENTAOL

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](O)C=C4[C@@]([H])(CC[C@H](O)[C@]4(C)CO)[C@]3(C)CC[C@]12C)[C@H](C)C[C@@H](O)[C@H](O)C(C)=C

InChI

InChIKey=LJWAEAIXBCCHLR-ITWKNSBQSA-N
InChI=1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7)26-23(33)15-21-20(8-9-24(34)28(21,5)16-31)27(26,4)12-13-29(19,30)6/h15,18-20,22-26,31-35H,1,8-14,16H2,2-7H3/t18-,19-,20-,22-,23+,24+,25-,26-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H50O5
Molecular Weight 490.715
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
2T3PK8ZV3C
Record Status Validated (UNII)
Record Version