(Q105112733)

English

[(4aR,5R,6R,6aR,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] (Z)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

464.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4aR,5R,6R,6aS,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-5-yl] (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₅

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canonical SMILES

O=C(OC1C(O)C2C(C=3C=COC3CC2C4(C)CCCC(C)(C)C14O)C)C=CC=5C=CC=CC5

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isomeric SMILES

C[C@H]1c2ccoc2C[C@H]2[C@@H]1[C@@H](O)[C@@H](OC(=O)/C=C\c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C

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found in taxon

Alpinia pulcherrima

1 reference

stated in

Diterpenoids from Caesalpinia pulcherrima

Caesalpinia pulcherrima

1 reference

stated in

Diterpenoids from Caesalpinia pulcherrima

Identifiers

InChI

InChI=1S/C29H36O5/c1-18-20-13-16-33-22(20)17-21-24(18)25(31)26(29(32)27(2,3)14-8-15-28(21,29)4)34-23(30)12-11-19-9-6-5-7-10-19/h5-7,9-13,16,18,21,24-26,31-32H,8,14-15,17H2,1-4H3/b12-11-/t18-,21-,24+,25+,26+,28+,29+/m0/s1

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InChIKey

IGNZARMTFKDIDD-CKTFQPSQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGNZARMTFKDIDD-CKTFQPSQSA-N

(Q105112733)

[(4aR,5R,6R,6aR,7R,11aS,11bR)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] (Z)-3-phenylprop-2-enoate

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