(Q105111805)

English

methyl (4aS,5R,6R,6aR,7S,11aS,11bR)-6-acetyloxy-5-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 6-(acetyloxy)-5-hydroxy-4,4,11b-trimethyl-1H,2H,3H,4aH,5H,6H,6aH,7H,11H,11aH-phenanthro[3,2-b]furan-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₆

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canonical SMILES

O=C(OC1C(O)C2C(C)(C)CCCC2(C)C3CC=4OC=CC4C(C(=O)OC)C13)C

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isomeric SMILES

COC(=O)[C@@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CCC[C@]21C

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found in taxon

Pterodon emarginatus

1 reference

stated in

Diterpenoid furans from Pterodon species

Pterodon pubescens

1 reference

stated in

Diterpenoid furans from Pterodon species

Identifiers

InChI

InChI=1S/C23H32O6/c1-12(24)29-19-17-14(11-15-13(7-10-28-15)16(17)21(26)27-5)23(4)9-6-8-22(2,3)20(23)18(19)25/h7,10,14,16-20,25H,6,8-9,11H2,1-5H3/t14-,16+,17+,18-,19+,20-,23+/m0/s1

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InChIKey

IEJMZROVWPJSHD-BJXFMLEZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105111805)

methyl (4aS,5R,6R,6aR,7S,11aS,11bR)-6-acetyloxy-5-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-7-carboxylate

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Identifiers

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