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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H52O5
Molecular Weight 528.763
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PACHYMIC ACID

SMILES

[H][C@]1([C@@H](CCC(=C)C(C)C)C(O)=O)[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@]4([H])CC3

InChI

InChIKey=VDYCLYGKCGVBHN-DRCQUEPLSA-N
InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,27+,28+,31-,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H52O5
Molecular Weight 528.763
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
2.9 mM [IC50]
Substance Class Chemical
Record UNII
X2FCK16QAH
Record Status Validated (UNII)
Record Version