(Q118261743)

English

(1R,2R,4aR,6S,8aR)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-farnesyl-2,5,5,8a-tetramethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene triterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

460.391645524 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,2R,4aR,6S,8aS)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₅₂O₃

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canonical SMILES

OCC(=CCCC(=CCCC(=CCCC1C(O)(C)CCC2C(C)(C)C(O)CCC12C)C)C)C

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isomeric SMILES

C/C(=C\CC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]1(C)O)CO

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found in taxon

Commiphora wightii

1 reference

stated in

Absolute stereostructures of polypodane-type triterpenes, myrrhanol A and myrrhanone A, from guggul-gum resin (the resin of Balsamodendron mukul)

Identifiers

InChI

InChI=1S/C30H52O3/c1-22(13-9-15-24(3)21-31)11-8-12-23(2)14-10-16-26-29(6)19-18-27(32)28(4,5)25(29)17-20-30(26,7)33/h11,14-15,25-27,31-33H,8-10,12-13,16-21H2,1-7H3/b22-11+,23-14+,24-15+/t25-,26+,27-,29+,30+/m0/s1

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InChIKey

KKOJENOIJUTRDK-SCWGCWQCSA-N

0 references

2 references

10 May 2023

inferred from InChIKey

matched by identifier from

InChIKey

KKOJENOIJUTRDK-SCWGCWQCSA-N

(Q118261743)

(1R,2R,4aR,6S,8aR)-1-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol

Statements

Identifiers

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