(Q105352769)

English

(1aR,3S,3aR,4R,5R,6R,7aS)-6-[(2S,3R,4S)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3H-oxepin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (2R,3R)-2-hydroxy-3-methylpentanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[6-[2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3H-oxepin-4-yl]-5-formyloxy-3-(furan-3-yl)-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[1,7a-b]oxiren-4-yl] 2-hydroxy-3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

686.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1aR,3S,3aR,4R,5R,6R,7aS)-6-[(2S,3R,4R)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3H-oxepin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (2R,3R)-2-hydroxy-3-methylpentanoate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₄₆O₁₃

0 references

canonical SMILES

O=COC1C(OC(=O)C(O)C(C)CC)C2(C)C(C3=COC=C3)CC4OC42C(=C)C1C5(C=CC(=O)OC(C)(COC(=O)C)C5CC(=O)OC)C

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isomeric SMILES

C=C1[C@@H]([C@]2(C)C=CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132

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found in taxon

Cipadessa baccifera

1 reference

stated in

Terpenoids from the stems of Cipadessa baccifera

Identifiers

InChI

InChI=1S/C36H46O13/c1-9-19(2)29(41)32(42)47-31-30(46-18-37)28(20(3)36-25(48-36)14-23(35(31,36)7)22-11-13-44-16-22)33(5)12-10-26(39)49-34(6,17-45-21(4)38)24(33)15-27(40)43-8/h10-13,16,18-19,23-25,28-31,41H,3,9,14-15,17H2,1-2,4-8H3/t19-,23+,24-,25-,28-,29-,30-,31+,33-,34-,35-,36-/m1/s1

0 references

InChIKey

YRFRXISQCYTJMQ-XCCBGGSFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YRFRXISQCYTJMQ-XCCBGGSFSA-N

(Q105352769)

(1aR,3S,3aR,4R,5R,6R,7aS)-6-[(2S,3R,4S)-2-[(acetyloxy)methyl]-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxo-3H-oxepin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (2R,3R)-2-hydroxy-3-methylpentanoate

Statements

Identifiers

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