(Q105179788)

English

(E,4S,6R)-6-[(1'aR,3R,3'R,3aS,3'aR,6R,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]-4-hydroxy-2-methylhept-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

502.329439192 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₆O₆

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canonical SMILES

O=C(O)C(=CC(O)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@@H](O)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

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stated in

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

Identifiers

InChI

InChI=1S/C30H46O6/c1-17(24(34)35)14-19(31)15-18(2)27(6)16-23-30(36-23)28(27,7)12-10-22(33)29(30)13-8-20-25(3,4)21(32)9-11-26(20,29)5/h14,18-21,23,31-32H,8-13,15-16H2,1-7H3,(H,34,35)/b17-14+/t18-,19-,20+,21-,23-,26+,27-,28-,29-,30+/m1/s1

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InChIKey

NIFNGUMMVACBEH-HQIFYQGKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIFNGUMMVACBEH-HQIFYQGKSA-N

1 reference

(Q105179788)

(E,4S,6R)-6-[(1'aR,3R,3'R,3aS,3'aR,6R,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]-4-hydroxy-2-methylhept-2-enoic acid

Statements

Identifiers

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