(Q105282029)

English

[(4S,5R,7S)-4,12-diacetyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-5,7-diphenoxy-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate

group of stereoisomers with the chemical formula C₃₃H₃₈O₁₁

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Statements

instance of

group of stereoisomers

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

610.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₁₁

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canonical SMILES

O=C(OCC12C(OC=3C=CC=CC3)C(=O)C4C(OC(=O)C)C2(OC4(C)C)C(O)(C)CC(OC(=O)C)C1OC=5C=CC=CC5)C

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isomeric SMILES

CC(=O)OCC12[C@H](Oc3ccccc3)C(=O)C3C(OC(C)=O)C1(OC3(C)C)C(C)(O)C[C@H](OC(C)=O)[C@@H]2Oc1ccccc1

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found in taxon

Tripterygium wilfordii

1 reference

stated in

Polyhydroxyagarofuran derivatives from Tripterygium wilfordii H.

Identifiers

InChI

InChI=1S/C33H38O11/c1-19(34)39-18-32-27(42-22-13-9-7-10-14-22)24(40-20(2)35)17-31(6,38)33(32)28(41-21(3)36)25(30(4,5)44-33)26(37)29(32)43-23-15-11-8-12-16-23/h7-16,24-25,27-29,38H,17-18H2,1-6H3/t24-,25?,27-,28?,29+,31?,32?,33?/m0/s1

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InChIKey

UYXVZENRQIZTDR-JTCSBRFMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UYXVZENRQIZTDR-JTCSBRFMSA-N

1 reference

(Q105282029)

[(4S,5R,7S)-4,12-diacetyloxy-2-hydroxy-2,10,10-trimethyl-8-oxo-5,7-diphenoxy-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl acetate

Statements

Identifiers

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