(Q105341775)

English

[(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2R)-2-methylbutanoyl]oxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

7|A-(3-Ethyl-cis-crotonoyloxy)-1|A-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

1 reference

based on heuristic

inferred from SMILES

(3aalpha,7abeta)-1-[(Z)-Ethylidene]-3beta-(2-methylbutyryloxy)-4-methylene-5alpha-(3-methyl-2-pentenoyloxy)-7beta-isopropylhydrindane-2-one

1 reference

based on heuristic

inferred from SMILES

mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2R)-2-methylbutanoyl]oxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2R)-2-methylbutanoyl]oxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] 3-methylpent-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₅

0 references

canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C(C)CC)C(=O)C(=CC)C2C(C1)C(C)C)C=C(C)CC

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isomeric SMILES

C=C1[C@H](OC(=O)/C=C(\C)CC)C[C@@H](C(C)C)[C@@H]2/C(=C\C)C(=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12

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found in taxon

Petasites tricholobus

1 reference

stated in

Two triterpenoids and other constituents from Petasites tricholobus

Identifiers

InChI

InChI=1S/C26H38O5/c1-9-15(6)12-21(27)30-20-13-19(14(4)5)23-18(11-3)24(28)25(22(23)17(20)8)31-26(29)16(7)10-2/h11-12,14,16,19-20,22-23,25H,8-10,13H2,1-7H3/b15-12+,18-11+/t16-,19+,20-,22+,23+,25+/m1/s1

0 references

InChIKey

XTQQLVJPORCMAK-FHPFAYHESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XTQQLVJPORCMAK-FHPFAYHESA-N

(Q105341775)

[(1E,3S,3aR,5R,7S,7aS)-1-ethylidene-3-[(2R)-2-methylbutanoyl]oxy-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate

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