CAS 99759-48-5

(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one

Description:

The chemical substance with the name "(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one" and CAS number "99759-48-5" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a tetradecahydro structure, indicating a saturated hydrocarbon framework, along with various substituents such as a benzoyloxy group and a methoxy group. The presence of multiple chiral centers contributes to its stereoisomerism, which can significantly influence its biological activity and interactions. This compound is likely to exhibit specific solubility properties, depending on its functional groups, and may have potential applications in pharmaceuticals or as a chemical intermediate. Its structural complexity suggests that it may participate in various chemical reactions, including esterification and substitution, making it of interest in synthetic organic chemistry.

Formula: C₂₉H₃₇NO₆

InChI: InChI=1S/C29H37NO6/c1-4-30-15-27(2)12-11-19(34-3)29-18-14-17-10-13-28(33,20(18)26(32)35-17)21(24(29)30)22(23(27)29)36-25(31)16-8-6-5-7-9-16/h5-9,17-24,33H,4,10-15H2,1-3H3/t17?,18-,19+,20-,21+,22-,23-,24?,27+,28-,29+/m1/s1

InChI key: InChIKey=XVVZJDDPRFFKTQ-IEPCDSABSA-N

SMILES: O(C)[C@@H]1[C@@]23[C@@]4([C@H](OC(=O)C5=CC=CC=C5)[C@@](C2(N(CC)C[C@]4(C)CC1)[H])([C@]6(O)[C@@]7([C@]3(CC(OC7=O)(CC6)[H])[H])[H])[H])[H]

Synonyms:

• Heteratisan-14-one, 6-(benzoyloxy)-20-ethyl-8-hydroxy-1-methoxy-4-methyl-, (1α,6β)-
• Heteratisine 6-benzoate
• 8H-13,3,6a-Ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one, 14-(benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-, (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-
• (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-14-(Benzoyloxy)-1-ethyltetradecahydro-12a-hydroxy-6-methoxy-3-methyl-8H-13,3,6a-ethanylylidene-7,10-methanooxepino[3,4-i]-1-benzazocin-8-one
• 6-O-Benzoylheteratisine

6-Benzoylheteratisine

CAS: 99759-48-5

6-Benzoylheteratisine

Purity: ≥98%

Molecular weight: 495.61g/mol

Ref: 54-BUP00839

6-Benzoylheteratisine

CAS: 99759-48-5

Formula: C₂₉H₃₇NO₆

Purity: 95%~99%

Molecular weight: 495.616

Ref: BP-BP4569

6-Benzoylheteratisine

CAS: 99759-48-5

6-Benzoylheteratisine (Heteratisan-14-one, 6-(benzoyloxy)-20-ethyl-8-hydroxy-1-methoxy-4-meth) is a Aconitum alkaloid.

Formula: C₂₉H₃₇NO₆

Purity: 99.87%

Color and Shape: Solid

Molecular weight: 495.61

Ref: TM-TN6713