(Q105201728)

English

(1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,17S,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

chemical compound

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instance of

type of chemical entity

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subclass of

12,16-Dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

1 reference

based on heuristic

inferred from SMILES

(2R,5S,8S,9S,12S,13R,14R,15S,16R,17S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

1 reference

based on heuristic

inferred from SMILES

(9S,12S,16R,17S,19S,23S,26S)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

1 reference

based on heuristic

inferred from SMILES

(1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.0¹,¹⁷.0²,¹⁴.0⁴,¹³.0⁵,⁹.0¹⁹,²⁷.0²²,²⁶]heptacos-3-ene-7,24-dione

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,2R,5S,8S,9S,12S,13R,14R,15R,16R,17S,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

1 reference

1 reference

C₃₀H₄₀O₇

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canonical SMILES

O=C1OC2C3=C(C)C4C(C3C(O)(C)CCC2C1C)C5C(O)C6(OC7(C)CCC8C(C(=O)OC8C46C57)C)C

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isomeric SMILES

CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@](C)(O)[C@@H]2[C@H]2[C@H]3[C@H](O)[C@@]4(C)O[C@@]5(C)CC[C@H]6[C@H](C)C(=O)O[C@@H]6[C@]4([C@@H]12)[C@@H]35

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found in taxon

Artemisia caruifolia

1 reference

stated in

Guaiane dimers and germacranolide from Artemisia caruifolia

Artemisia carvifolia

1 reference

stated in

Guaiane dimers and germacranolide from Artemisia caruifolia

Identifiers

InChI

InChI=1S/C30H40O7/c1-11-14-7-9-27(4,34)20-16(21(14)35-25(11)32)13(3)19-17(20)18-22-28(5)10-8-15-12(2)26(33)36-24(15)30(19,22)29(6,37-28)23(18)31/h11-12,14-15,17-24,31,34H,7-10H2,1-6H3/t11-,12-,14-,15-,17-,18+,19-,20-,21-,22-,23-,24-,27-,28-,29+,30-/m0/s1

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InChIKey

OVZIMEDUADJHPN-TWFFZWGZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OVZIMEDUADJHPN-TWFFZWGZSA-N

1 reference

(Q105201728)

(1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,17S,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione

Statements

Identifiers

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