(Q105025935)

English

[(8S,9S,10S,11R)-11-acetyloxy-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-3-phenylprop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(11-Acetyloxy-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

622.241412036 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(8S,9R,10S,11R)-11-acetyloxy-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(8S,9R,10S,11R)-11-acetyloxy-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₃₈O₁₁

0 references

canonical SMILES

O=C(OC1C=2C=C(OC)C(OC)=C(O)C2C3=C(OC)C(OC)=C(OC)C=C3C(OC(=O)C)C(C)C1(O)C)C=CC=4C=CC=CC4

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isomeric SMILES

COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)/C=C/c1ccccc1

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found in taxon

Kadsura angustifolia

1 reference

stated in

Lignans from Kadsura angustifolia

Identifiers

InChI

InChI=1S/C34H38O11/c1-18-29(44-19(2)35)21-16-24(40-5)31(42-7)32(43-8)27(21)26-22(17-23(39-4)30(41-6)28(26)37)33(34(18,3)38)45-25(36)15-14-20-12-10-9-11-13-20/h9-18,29,33,37-38H,1-8H3/b15-14+/t18-,29+,33-,34-/m0/s1

0 references

InChIKey

HCRDYSMLGNXTDO-BRHQRLRRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCRDYSMLGNXTDO-BRHQRLRRSA-N

(Q105025935)

[(8S,9S,10S,11R)-11-acetyloxy-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-3-phenylprop-2-enoate

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