(Q105250281)

English

[(4R,4aS,5R,6aR,11aS,11bR)-5-benzoyloxy-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-Benzoyloxy-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-yl)methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

540.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₃₆O₆

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canonical SMILES

O=C(OCC1(C)CCCC2(C)C3CC=4OC=CC4C(=C)C3CC(OC(=O)C=5C=CC=CC5)C12O)C=6C=CC=CC6

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isomeric SMILES

C=C1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(COC(=O)c3ccccc3)CCC[C@]21C

0 references

found in taxon

Caesalpinia pulcherrima

2 references

stated in

A New Furanoid Diterpene from Caesalpinia pulcherrima

stated in

A New Furanoid Diterpene from Caesalpinia pulcherrima

Identifiers

InChI

InChI=1S/C34H36O6/c1-22-25-15-18-38-28(25)20-27-26(22)19-29(40-31(36)24-13-8-5-9-14-24)34(37)32(2,16-10-17-33(27,34)3)21-39-30(35)23-11-6-4-7-12-23/h4-9,11-15,18,26-27,29,37H,1,10,16-17,19-21H2,2-3H3/t26-,27-,29+,32+,33+,34+/m0/s1

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InChIKey

SCMZVYCEBFUYQW-JJHRHQKCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SCMZVYCEBFUYQW-JJHRHQKCSA-N

1 reference

(Q105250281)

[(4R,4aS,5R,6aR,11aS,11bR)-5-benzoyloxy-4a-hydroxy-4,11b-dimethyl-7-methylidene-1,2,3,5,6,6a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl benzoate

Statements

Identifiers

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