(Q105186255)

English

(1S,2R,6S,7S,9S,12R)-9-hydroxy-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

abietane diterpenoid

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mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C1CC(O)C3=CC4(OOC32CC4)C(C)C

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isomeric SMILES

CC(C)[C@@]12C=C3[C@@H](O)C[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@]3(CC1)OO2

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found in taxon

Callicarpa macrophylla

1 reference

stated in

Bioactive Diterpenoids from the Leaves of Callicarpa macrophylla

Identifiers

InChI

InChI=1S/C20H30O5/c1-12(2)19-8-9-20(25-24-19)13(11-19)14(21)10-15-17(3,16(22)23)6-5-7-18(15,20)4/h11-12,14-15,21H,5-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18+,19-,20+/m0/s1

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InChIKey

NVIRVAAOVXZOTN-LUGRNRNJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NVIRVAAOVXZOTN-LUGRNRNJSA-N

1 reference

(Q105186255)

(1S,2R,6S,7S,9S,12R)-9-hydroxy-2,6-dimethyl-12-propan-2-yl-13,14-dioxatetracyclo[10.2.2.01,10.02,7]hexadec-10-ene-6-carboxylic acid

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Identifiers

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