(Q118261744)

English

(2E,6E,10E)-13-[(1R,2R,4aR,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

chemical compound

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Statements

instance of

type of chemical entity

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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

474.37091008 dalton

1 reference

1 reference

C₃₀H₅₀O₄

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canonical SMILES

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

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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/C30H50O4/c1-21(13-9-15-23(3)27(32)33)11-8-12-22(2)14-10-16-25-29(6)19-18-26(31)28(4,5)24(29)17-20-30(25,7)34/h11,14-15,24-26,31,34H,8-10,12-13,16-20H2,1-7H3,(H,32,33)/b21-11+,22-14+,23-15+/t24-,25+,26-,29+,30+/m0/s1

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InChIKey

XKZRMBOWVKGAPH-FPUSXYFTSA-N

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2 references

10 May 2023

inferred from InChIKey

matched by identifier from

InChIKey

XKZRMBOWVKGAPH-FPUSXYFTSA-N

(Q118261744)

(2E,6E,10E)-13-[(1R,2R,4aR,6S,8aR)-2,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid

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Identifiers

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