(Q105314670)

English

(1R,2S,4S,7R,9R,12S,13R)-3,3,7,12,16,16,18,18-octamethyl-13-(2-methylpropyl)-8,20-dioxapentacyclo[10.8.0.02,4.07,9.014,19]icos-14(19)-ene-15,17-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2,2,4,4,10,13a-Hexamethyl-6,7-isopropylidene-10,11-epoxy-14-isobutyl-1,2,3,4,5a,6,7,8,9,10,11,12,13,13a,14-pentadecahydro-5-oxacyclodeca[b]naphthalene-1,3-dione

1 reference

based on heuristic

inferred from SMILES

mass

470.339609952 dalton

1 reference

1 reference

C₃₀H₄₆O₄

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canonical SMILES

O=C1C2=C(OC3C4C(CCC5(OC5CCC3(C)C2CC(C)C)C)C4(C)C)C(C(=O)C1(C)C)(C)C

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isomeric SMILES

CC(C)C[C@H]1C2=C(O[C@@H]3[C@H]4[C@H](CC[C@@]5(C)O[C@@H]5CC[C@@]13C)C4(C)C)C(C)(C)C(=O)C(C)(C)C2=O

0 references

found in taxon

Kunzea ambigua

1 reference

stated in

Kunzeanones A, B, and C: novel alkylated phloroglucinol metabolites from Kunzea ambigua

Identifiers

InChI

InChI=1S/C30H46O4/c1-16(2)15-18-20-22(31)27(5,6)25(32)28(7,8)23(20)33-24-21-17(26(21,3)4)11-14-30(10)19(34-30)12-13-29(18,24)9/h16-19,21,24H,11-15H2,1-10H3/t17-,18-,19+,21+,24+,29-,30+/m0/s1

0 references

InChIKey

WXIXIBHMUBGXNO-QAAVUGJISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WXIXIBHMUBGXNO-QAAVUGJISA-N

(Q105314670)

(1R,2S,4S,7R,9R,12S,13R)-3,3,7,12,16,16,18,18-octamethyl-13-(2-methylpropyl)-8,20-dioxapentacyclo[10.8.0.02,4.07,9.014,19]icos-14(19)-ene-15,17-dione

Statements

Identifiers

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