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Details

Stereochemistry UNKNOWN
Molecular Formula C38H62O5
Molecular Weight 598.8959
Optical Activity ( - )
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PARACASEOLIDE A, (-)-

SMILES

CCCCCCCCCCCC\C=C\[C@]12[C@@H]3[C@@H]4C(=C[C@@H]1CCCCCCCCCCCC)C(=O)O[C@]4(C)O[C@]3(C)OC2=O

InChI

InChIKey=ZAFZFHLQBNISDI-GSNNDVGSSA-N
InChI=1S/C38H62O5/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-38-30(27-25-23-21-19-16-14-12-10-8-6-2)29-31-32-33(38)37(4,42-35(38)40)43-36(32,3)41-34(31)39/h26,28-30,32-33H,5-25,27H2,1-4H3/b28-26+/t30-,32-,33+,36+,37-,38+/m0/s1

HIDE SMILES / InChI

Molecular Formula C38H62O5
Molecular Weight 598.8959
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
O73ZC0U65E
Record Status Validated (UNII)
Record Version