(Q105282469)

English

(2S,4aR,6aS,6aR,8R,14aR,14bS)-10,11-dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₁H₄₄O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

496.318874508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₄O₅

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C4=CC(C5=C(C(O)=C(O)C=C5C4(C)CCC3(C)C2C1)C)C(O)C)C

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isomeric SMILES

Cc1c(O)c(O)cc2c1[C@H](C(C)O)C=C1[C@]2(C)CC[C@]2(C)[C@H]3C[C@@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C

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found in taxon

Tripterygium wilfordii

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stated in

Two novel phenolic triterpenes from Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18?,19-,23-,27-,28-,29+,30-,31+/m0/s1

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InChIKey

UZTWKCSXTUDYPH-LSNICNRESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UZTWKCSXTUDYPH-LSNICNRESA-N

1 reference

(Q105282469)

(2S,4aR,6aS,6aR,8R,14aR,14bS)-10,11-dihydroxy-8-(1-hydroxyethyl)-2,4a,6a,6a,9,14a-hexamethyl-3,4,5,6,8,13,14,14b-octahydro-1H-picene-2-carboxylic acid

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Identifiers

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