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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O4
Molecular Weight 474.7156
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAPELIN B

SMILES

C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]5COC(C)(C)[C@@H](O)[C@H](O)C5

InChI

InChIKey=NIFGYDXBCZOSPH-YVPSIGJHSA-N
InChI=1S/C30H50O4/c1-26(2)23-9-8-21-20(28(23,5)13-12-24(26)32)11-15-29(6)19(10-14-30(21,29)7)18-16-22(31)25(33)27(3,4)34-17-18/h8,18-20,22-25,31-33H,9-17H2,1-7H3/t18-,19+,20+,22-,23+,24-,25+,28-,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H50O4
Molecular Weight 474.7156
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
LP3FP222UH
Record Status Validated (UNII)
Record Version