CAS No. 117229-54-6

Molecular Formula: C44H48O15

Description:
Taxacin is a natural diterpenoid compound found in several plants.

• Molecular Weight: 816.84
• Molecular Formula: C44H48O15

Purity: >97%

Canonical SMILES:
CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C=CC6=CC=CC=C6

InChI:
InChI=1S/C44H48O15/c1-24-32(59-35(50)19-18-29-14-10-8-11-15-29)21-34(55-25(2)45)43(23-53-40(51)30-16-12-9-13-17-30)36(24)37(56-26(3)46)31-20-33(49)42(7)44(52,41(31,6)22-54-42)39(58-28(5)48)38(43)57-27(4)47/h8-19,31-32,34,36-39,52H,1,20-23H2,2-7H3/b19-18+/t31-,32-,34-,36-,37+,38-,39-,41-,42+,43+,44-/m0/s1

InChIKey: QSCIDKJZGZYKSP-KCCIQLONSA-N

• Appearance: Powder

Synonyms:
(1S,3aR,4R,5R,5aR,7S,9S,9aR,10R,11S,11aR)-9a-((benzoyloxy)methyl)-7-(cinnamoyloxy)-11a-hydroxy-1,3a-dimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate

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