(Q105250362)

English

(1S,9R,10R,11R)-9,12,12-trimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),4,6-triene-4,5,10-triol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

346.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₄

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canonical SMILES

OC=1C(O)=C2C(=CC1C(C)C)C3(OC4(C2)CCCC(C)(C)C4C3O)C

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isomeric SMILES

CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1[C@@H](O)[C@]2(C)O3

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found in taxon

Premna serratifolia

1 reference

stated in

Potential anti-inflammatory diterpenes from Premna obtusifolia

Identifiers

InChI

InChI=1S/C21H30O4/c1-11(2)12-9-14-13(16(23)15(12)22)10-21-8-6-7-19(3,4)17(21)18(24)20(14,5)25-21/h9,11,17-18,22-24H,6-8,10H2,1-5H3/t17-,18+,20+,21-/m0/s1

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InChIKey

SCQXHETZRUJEHL-ZSXPUABSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SCQXHETZRUJEHL-ZSXPUABSSA-N

(Q105250362)

(1S,9R,10R,11R)-9,12,12-trimethyl-6-propan-2-yl-16-oxatetracyclo[7.6.1.01,11.03,8]hexadeca-3(8),4,6-triene-4,5,10-triol

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Identifiers

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