(Q105276482)

English

(2E,4Z,6R)-6-[(1'aR,3R,3'R,3aS,3'aR,6S,7aR,7'aS)-6-hydroxy-3',3a,3'a,7,7-pentamethyl-6'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,7'-1a,2,4,5-tetrahydroindeno[3,3a-b]oxirene]-3'-yl]-2-methylhepta-2,4-dienoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

484.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6R)-6-[(1'aR,3R,3'R,3aS,3'aR,6S,7aR,7'aS)-6-hydroxy-3',3a,3'a,7,7-pentamethyl-6'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,7'-1a,2,4,5-tetrahydroindeno[3,3a-b]oxirene]-3'-yl]-2-methylhepta-2,4-dienoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₅

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canonical SMILES

O=C(O)C(=CC=CC(C)C1(C)CC2OC23C4(C(=O)CCC31C)CCC5C(C)(C)C(O)CCC54C)C

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isomeric SMILES

C/C(=C\C=C/[C@@H](C)[C@@]1(C)C[C@H]2O[C@@]23[C@]2(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O

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found in taxon

Garcinia speciosa

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stated in

Bioactive friedolanostanes and 11(10-->8)-abeolanostanes from the bark of Garcinia speciosa.

Garcinia celebica

1 reference

stated in

Bioactive friedolanostanes and 11(10-->8)-abeolanostanes from the bark of Garcinia speciosa.

Identifiers

InChI

InChI=1S/C30H44O5/c1-18(24(33)34)9-8-10-19(2)27(6)17-23-30(35-23)28(27,7)15-13-22(32)29(30)16-11-20-25(3,4)21(31)12-14-26(20,29)5/h8-10,19-21,23,31H,11-17H2,1-7H3,(H,33,34)/b10-8-,18-9+/t19-,20+,21+,23-,26+,27-,28-,29-,30+/m1/s1

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InChIKey

UONZCNGOTPYRMX-LBUWXADRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UONZCNGOTPYRMX-LBUWXADRSA-N

1 reference

(Q105276482)

(2E,4Z,6R)-6-[(1'aR,3R,3'R,3aS,3'aR,6S,7aR,7'aS)-6-hydroxy-3',3a,3'a,7,7-pentamethyl-6'-oxospiro[1,2,4,5,6,7a-hexahydroindene-3,7'-1a,2,4,5-tetrahydroindeno[3,3a-b]oxirene]-3'-yl]-2-methylhepta-2,4-dienoic acid

Statements

Identifiers

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