(Q105135146)

English

[(1S,2R,4S,5S,6R,7S,9R,12R)-5,12-diacetyloxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] (E)-3-phenylprop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

630.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₂O₉

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canonical SMILES

O=C(OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=CC=4C=CC=CC4)C2(C)C1OC(=O)C)C3OC(=O)C)C=CC=5C=CC=CC5

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]12C)[C@H]3OC(C)=O

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found in taxon

Celastrus flagellaris

1 reference

stated in

Natural β-Dihydroagarofuran-Type Sesquiterpenoids as Cognition-Enhancing and Neuroprotective Agents from Medicinal Plants of the Genus Celastrus

Identifiers

InChI

InChI=1S/C37H42O9/c1-23-21-29(44-31(40)19-17-26-13-9-7-10-14-26)34(43-25(3)39)36(6)30(45-32(41)20-18-27-15-11-8-12-16-27)22-28-33(42-24(2)38)37(23,36)46-35(28,4)5/h7-20,23,28-30,33-34H,21-22H2,1-6H3/b19-17+,20-18+/t23-,28-,29+,30+,33-,34-,36-,37-/m1/s1

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InChIKey

JUCKRBRETJEQNN-IQBZRUAFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JUCKRBRETJEQNN-IQBZRUAFSA-N

1 reference

(Q105135146)

[(1S,2R,4S,5S,6R,7S,9R,12R)-5,12-diacetyloxy-2,6,10,10-tetramethyl-7-[(E)-3-phenylprop-2-enoyl]oxy-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] (E)-3-phenylprop-2-enoate

Statements

Identifiers

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