(Q105370259)

English

(1R,2S,3R,4R,6R)-4-[[(11S)-11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

chemical compound

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instance of

type of chemical entity

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subclass of

4-[(11,17-Dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

1 reference

based on heuristic

inferred from SMILES

mass

518.251582796 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₉

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canonical SMILES

OC1=CC=C2C=C1C3=CC(=C(OC4CC(CO)C(O)C(O)C4O)C(OC)=C3OC)CCCCC(O)CC2

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isomeric SMILES

COc1c2cc(c(O[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCC[C@H](O)CCc1ccc(O)c-2c1

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found in taxon

Morella esculenta

1 reference

stated in

A new monoterpenoid glycoside from Myrica esculenta and the inhibition of angiotensin I-converting enzyme

Identifiers

InChI

InChI=1S/C28H38O9/c1-35-27-20-12-16(5-3-4-6-18(30)9-7-15-8-10-21(31)19(20)11-15)26(28(27)36-2)37-22-13-17(14-29)23(32)25(34)24(22)33/h8,10-12,17-18,22-25,29-34H,3-7,9,13-14H2,1-2H3/t17-,18+,22-,23-,24+,25+/m1/s1

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InChIKey

ZAWKVKLCNAKUFO-DWQGBFDNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105370259)

(1R,2S,3R,4R,6R)-4-[[(11S)-11,17-dihydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl]oxy]-6-(hydroxymethyl)cyclohexane-1,2,3-triol

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