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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H52O4
Molecular Weight 488.7422
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CUCURBALSAMINOL B

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])[C@@H](OC)C=C4[C@@]([H])(CC[C@H](O)C4(C)C)[C@]3(C)C[C@@H](O)[C@]12C)[C@H](C)C\C=C\C(C)(C)O

InChI

InChIKey=OSNWCRUHKQXEMA-KOBRMIIQSA-N
InChI=1S/C31H52O4/c1-19(11-10-15-27(2,3)34)20-14-16-30(7)26-23(35-9)17-22-21(12-13-24(32)28(22,4)5)29(26,6)18-25(33)31(20,30)8/h10,15,17,19-21,23-26,32-34H,11-14,16,18H2,1-9H3/b15-10+/t19-,20-,21-,23+,24+,25-,26-,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H52O4
Molecular Weight 488.7422
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
LCG2BV4NT5
Record Status Validated (UNII)
Record Version