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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O3
Molecular Weight 454.6844
Optical Activity ( + )
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MORONIC ACID

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CCC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@]5(CCC(C)(C)C=C25)C(O)=O

InChI

InChIKey=UMYJVVZWBKIXQQ-QALSDZMNSA-N
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H46O3
Molecular Weight 454.6844
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
XW8W7HC4JK
Record Status Validated (UNII)
Record Version