(Q115971029)

English

[(1R,2R,3S,8R,10R,11S,12R,14R,16S,17R,18R,19R)-3-acetyloxy-16-(furan-3-yl)-18,19-dihydroxy-2,7,7,11,17-pentamethyl-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

560.26214748 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₁₀

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canonical SMILES

O=C(OC1CC(=O)OC(C)(C)C2CC(OC(=O)C)C3(C)C(C(O)C(O)C4(C)C(C5=COC=C5)CC6OC643)C12C)C

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isomeric SMILES

CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@H]([C@@H](O)[C@H](O)[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@@]534)[C@@]12C

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found in taxon

Aphanamixis grandifolia

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stated in

Bioactive terpenoids from the fruits of Aphanamixis grandifolia

Aphanamixis polystachya

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stated in

Bioactive terpenoids from the fruits of Aphanamixis grandifolia

Identifiers

InChI

InChI=1S/C30H40O10/c1-14(31)37-19-12-22(33)40-26(3,4)18-11-20(38-15(2)32)29(7)24(27(18,19)5)23(34)25(35)28(6)17(16-8-9-36-13-16)10-21-30(28,29)39-21/h8-9,13,17-21,23-25,34-35H,10-12H2,1-7H3/t17-,18-,19-,20+,21+,23+,24+,25-,27+,28+,29+,30+/m0/s1

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InChIKey

HSZTWKYZYXNVNE-ZBWDKIFYSA-N

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1 reference

3 January 2023

inferred from InChIKey

1 reference

(Q115971029)

[(1R,2R,3S,8R,10R,11S,12R,14R,16S,17R,18R,19R)-3-acetyloxy-16-(furan-3-yl)-18,19-dihydroxy-2,7,7,11,17-pentamethyl-5-oxo-6,13-dioxapentacyclo[9.8.0.02,8.012,14.012,17]nonadecan-10-yl] acetate

Statements

Identifiers

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