(Q105126238)

English

(1S,9R,10R,25R,33R)-3,5,15,16,20,21,22,29,31,33-decahydroxy-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.16,10.113,17.02,7.019,24.027,32]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-12-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

760.127564056 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₂₈O₁₈

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canonical SMILES

O=C1OC2CC3=C(O)C=C(O)C(=C3OC2C4=CC(O)=C(O)C(O)=C4)C5C=6C(O)=CC(O)=CC6OC(C7=CC(O)=C(O)C(O)=C7OC8=CC1=CC(O)=C8O)C5O

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isomeric SMILES

O=C1O[C@@H]2Cc3c(O)cc(O)c(c3O[C@@H]2c2cc(O)c(O)c(O)c2)[C@@H]2c3c(O)cc(O)cc3O[C@H](c3cc(O)c(O)c(O)c3Oc3cc1cc(O)c3O)[C@@H]2O

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found in taxon

Syzygium aqueum

1 reference

stated in

Identifiers

InChI

InChI=1S/C37H28O18/c38-12-5-16(40)25-22(6-12)52-35-14-7-21(45)30(48)32(50)36(14)53-23-4-11(3-20(44)29(23)47)37(51)54-24-8-13-15(39)9-17(41)26(27(25)31(35)49)34(13)55-33(24)10-1-18(42)28(46)19(43)2-10/h1-7,9,24,27,31,33,35,38-50H,8H2/t24-,27+,31-,33-,35-/m1/s1

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InChIKey

JENRLNPKDHPCHO-HPUHSIBXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JENRLNPKDHPCHO-HPUHSIBXSA-N

(Q105126238)

(1S,9R,10R,25R,33R)-3,5,15,16,20,21,22,29,31,33-decahydroxy-9-(3,4,5-trihydroxyphenyl)-8,11,18,26-tetraoxaheptacyclo[23.7.1.16,10.113,17.02,7.019,24.027,32]pentatriaconta-2,4,6,13,15,17(34),19,21,23,27,29,31-dodecaen-12-one

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