(Q105112734)

English

[(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

chemical compound

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Statements

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,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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₅

0 references

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

Caesalpinia pulcherrima

4 references

stated in

Antitubercular cassane furanoditerpenoids from the roots of Caesalpinia pulcherrima.

stated in

Cassane diterpenoids from the stem of Caesalpinia pulcherrima

stated in

Cassane Diterpenoids of Caesalpinia pulcherrima

stated in

Pulcherrins D–R, potential anti-inflammatory diterpenoids from the roots of Caesalpinia pulcherrima

Alpinia pulcherrima

3 references

stated in

Cassane diterpenoids from the stem of Caesalpinia pulcherrima

stated in

Cassane Diterpenoids of Caesalpinia pulcherrima

stated in

Pulcherrins D–R, potential anti-inflammatory diterpenoids from the roots of 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-PSGKSZDDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IGNZARMTFKDIDD-PSGKSZDDSA-N

1 reference

(Q105112734)

[(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

Statements

Identifiers

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