(Q105286651)

English

[(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(4-hydroxyphenyl)prop-2-enoyl 6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

466.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₈O₅

0 references

canonical SMILES

O=C(OC(=O)C1(C)CCCC2(C)C(CCC(=C)C=C)C(O)(C)CCC12)C=CC3=CC=C(O)C=C3

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isomeric SMILES

C=CC(=C)CC[C@@H]1[C@@]2(C)CCC[C@](C)(C(=O)OC(=O)/C=C/c3ccc(O)cc3)[C@@H]2CC[C@@]1(C)O

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found in taxon

Calocedrus formosana

1 reference

stated in

Cytotoxic Constituents of the Leaves ofCalocedrus Formosana

Identifiers

InChI

InChI=1S/C29H38O5/c1-6-20(2)8-14-24-27(3)17-7-18-28(4,23(27)16-19-29(24,5)33)26(32)34-25(31)15-11-21-9-12-22(30)13-10-21/h6,9-13,15,23-24,30,33H,1-2,7-8,14,16-19H2,3-5H3/b15-11+/t23-,24-,27+,28+,29-/m1/s1

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InChIKey

VHWCBTIGFYIWEG-LYXGPFFNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105286651)

[(E)-3-(4-hydroxyphenyl)prop-2-enoyl] (1S,4aS,5R,6R,8aR)-6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate

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