(Q105143656)

English

[(3Z,3aR,4S,5S,6S,7aR)-3-ethylidene-6-hydroxy-7-methylidene-2-oxo-4-propan-2-yl-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(3-Ethylidene-6-hydroxy-7-methylidene-2-oxo-4-propan-2-yl-1,3a,4,5,6,7a-hexahydroinden-5-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3E,3aR,4S,5S,6S,7aR)-3-ethylidene-6-hydroxy-7-methylidene-2-oxo-4-propan-2-yl-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

0 references

canonical SMILES

O=C(OC1C(O)C(=C)C2CC(=O)C(=CC)C2C1C(C)C)C(=CC)C

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isomeric SMILES

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

0 references

found in taxon

Acrisione denticulata

2 references

stated in

Oplopane derivatives from Acrisione denticulata

stated in

Cacalol derivatives from dominicanSenecio species

Identifiers

InChI

InChI=1S/C20H28O4/c1-7-11(5)20(23)24-19-16(10(3)4)17-13(8-2)15(21)9-14(17)12(6)18(19)22/h7-8,10,14,16-19,22H,6,9H2,1-5H3/b11-7-,13-8+/t14-,16-,17+,18-,19-/m0/s1

0 references

InChIKey

KNXRRYNSMUERBP-DDACKWAISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KNXRRYNSMUERBP-DDACKWAISA-N

(Q105143656)

[(3Z,3aR,4S,5S,6S,7aR)-3-ethylidene-6-hydroxy-7-methylidene-2-oxo-4-propan-2-yl-1,3a,4,5,6,7a-hexahydroinden-5-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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