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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34O5
Molecular Weight 414.5345
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CB-03-04

SMILES

[H][C@@]12CC[C@](OC(=O)CCC)(C(=O)CO)[C@@]1(C)CC=C3[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=IMSKTQNPYUKZMB-AMMWCUJOSA-N
InChI=1S/C25H34O5/c1-4-5-22(29)30-25(21(28)15-26)13-10-20-18-7-6-16-14-17(27)8-11-23(16,2)19(18)9-12-24(20,25)3/h9,14,18,20,26H,4-8,10-13,15H2,1-3H3/t18-,20+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34O5
Molecular Weight 414.5345
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
88D1Y5GBH5
Record Status Validated (UNII)
Record Version