(Q105218171)

English

2alpha-(3-Furanyl)-3,3abeta,6,6abeta,6b,7,8,9,9a,10,11aalpha,11bbeta,12,12a-tetradecahydro-5beta-methoxy-1,6balpha,9aalpha,12aalpha-tetramethyl-2H,5H-cyclopenta[a]isobenzofuro[7,1-gh][3]benzooxepin-7beta,9beta,12beta-triol 7-benzoate 9-acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

ring-cleaved tetranortriterpenoid

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mass

620.298532988 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₄O₉

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canonical SMILES

O=C(OC1CC(OC(=O)C)C2(C)COC3C(O)C4(C5=C(C)C(C6=COC=C6)CC5OC(OC)CC4C1(C)C32)C)C=7C=CC=CC7

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isomeric SMILES

CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13

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found in taxon

Munronia pinnata

1 reference

stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C36H44O9/c1-19-23(22-12-13-41-17-22)14-24-29(19)36(5)25(15-28(40-6)44-24)35(4)27(45-33(39)21-10-8-7-9-11-21)16-26(43-20(2)37)34(3)18-42-30(31(34)35)32(36)38/h7-13,17,23-28,30-32,38H,14-16,18H2,1-6H3/t23-,24+,25-,26-,27+,28-,30-,31+,32-,34-,35+,36-/m1/s1

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InChIKey

QCDUZQJTCDFJLU-AZOYZBKUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QCDUZQJTCDFJLU-AZOYZBKUSA-N

1 reference

(Q105218171)

2alpha-(3-Furanyl)-3,3abeta,6,6abeta,6b,7,8,9,9a,10,11aalpha,11bbeta,12,12a-tetradecahydro-5beta-methoxy-1,6balpha,9aalpha,12aalpha-tetramethyl-2H,5H-cyclopenta[a]isobenzofuro[7,1-gh][3]benzooxepin-7beta,9beta,12beta-triol 7-benzoate 9-acetate

Statements

Identifiers

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