(Q105268680)

English

[(1R,2R,4S,5S,6R,7S,8R,9S,10S,11R,13S,15S,16S,17R)-5,7,9-triacetyloxy-6,16-dihydroxy-4,8,17-trimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl] benzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(5,7,9-Triacetyloxy-6,16-dihydroxy-4,8,17-trimethyl-13-phenyl-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadecan-8-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

734.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₄₆O₁₃

0 references

canonical SMILES

O=C(OC1(C)C(OC(=O)C)C2C3OC4(OC3(C(=C)C)C(O)C(C)C2(O4)C5CC(C)C(OC(=O)C)C5(O)C1OC(=O)C)C=6C=CC=CC6)C=7C=CC=CC7

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isomeric SMILES

C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@H](OC(C)=O)[C@@](C)(OC(=O)c4ccccc4)[C@@H](OC(C)=O)[C@]4(O)[C@@H](OC(C)=O)[C@@H](C)C[C@H]4[C@@]1(O3)[C@H](C)[C@@H]2O

0 references

Trigonostemon xyphophylloides

1 reference

Trigoxyphins A-G: diterpenes from Trigonostemon xyphophylloides

Identifiers

InChI=1S/C40H46O13/c1-20(2)38-30(44)22(4)39-28-19-21(3)31(47-23(5)41)37(28,46)35(49-25(7)43)36(8,51-34(45)26-15-11-9-12-16-26)32(48-24(6)42)29(39)33(38)50-40(52-38,53-39)27-17-13-10-14-18-27/h9-18,21-22,28-33,35,44,46H,1,19H2,2-8H3/t21-,22+,28+,29-,30-,31-,32-,33+,35+,36+,37+,38-,39-,40+/m0/s1

0 references

UAEKMRUKSIVWTE-DPVJXVFESA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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