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Details

Stereochemistry EPIMERIC
Molecular Formula C30H48O3
Molecular Weight 456.7003
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KARAVILAGENIN E

SMILES

[H][C@@]1(CC[C@@]2(C)[C@]3([H])C=C[C@@]45OC[C@]3(CC[C@]12C)[C@]4([H])CC[C@H](O)C5(C)C)[C@H](C)CC(O)C=C(C)C

InChI

InChIKey=BZKMSMPQWDQSDS-LKOBDAQCSA-N
InChI=1S/C30H48O3/c1-19(2)16-21(31)17-20(3)22-10-12-28(7)23-11-13-30-24(8-9-25(32)26(30,4)5)29(23,18-33-30)15-14-27(22,28)6/h11,13,16,20-25,31-32H,8-10,12,14-15,17-18H2,1-7H3/t20-,21?,22-,23+,24+,25+,27-,28+,29+,30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H48O3
Molecular Weight 456.7003
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
RSQ68AYN9R
Record Status Validated (UNII)
Record Version