(Q105190951)

English

[(1R,2S,5S,6R,9R,13R,14R,16R)-2,6-diacetyloxy-14-(acetyloxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₈H₄₀O₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

520.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₉

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canonical SMILES

O=C(OCC12OC1C34CC2CCC4C5(C)CCC(OC(=O)C)C(C)(COC(=O)C)C5CC3OC(=O)C)C

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isomeric SMILES

CC(=O)OC[C@]1(C)C2C[C@H](OC(C)=O)[C@@]34C[C@@H](CCC3[C@]2(C)CC[C@H]1OC(C)=O)[C@]1(COC(C)=O)O[C@H]41

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found in taxon

Sideritis hirsuta

1 reference

stated in

ent-Kauranoid derivatives from Sideritis moorei

Identifiers

InChI

InChI=1S/C28H40O9/c1-15(29)33-13-26(6)21-11-23(36-18(4)32)27-12-19(28(24(27)37-28)14-34-16(2)30)7-8-20(27)25(21,5)10-9-22(26)35-17(3)31/h19-24H,7-14H2,1-6H3/t19-,20?,21?,22-,23+,24-,25+,26-,27-,28+/m1/s1

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InChIKey

OFFATORNHROHHC-ZFLKZFMKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OFFATORNHROHHC-ZFLKZFMKSA-N

(Q105190951)

[(1R,2S,5S,6R,9R,13R,14R,16R)-2,6-diacetyloxy-14-(acetyloxymethyl)-5,9-dimethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-5-yl]methyl acetate

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Identifiers

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