Bakkenolide Db - CAS 226711-23-5
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Molecular Formula:
C21H28O7S
Molecular Weight:
424.508
COA:
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Chemical Family:
Sesquiterpenoids
Description:
Bakkenolide Db is isolated from the roots of Petasites formosanus.
Appearance:
Powder
Synonyms:
[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-3-[(R)-methylsulfinyl]prop-2-enoate
MSDS:
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InChIKey:
NOBDIGGORMPBLK-VVLKNSNYSA-N
InChI:
InChI=1S/C21H28O7S/c1-12-6-7-15(28-16(23)8-9-29(5)25)17-18(27-14(3)22)21(11-20(12,17)4)13(2)10-26-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+,29+/m0/s1
Canonical SMILES:
CC1CCC(C2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C)OC(=O)C=CS(=O)C
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Chemical Structure

CAS 226711-23-5 Bakkenolide Db

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