(Q105144134)

English

(3aR,3bS,5aS,6R,8aS,8bS,10R,10aS)-10-hydroxy-6-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3a,5a-dimethyl-3-oxo-1,2,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[6,7-e]indene-10a-carbaldehyde

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

472.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₀O₆

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canonical SMILES

O=CC12CCC(=O)C2(C)C3CCC4(C)C(CCC4C3CC1O)C(C)C5OC(=O)C(=C(C)C5)CO

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isomeric SMILES

CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@]5(C=O)CCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1

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found in taxon

Withania aristata

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stated in

Identifiers

InChI

InChI=1S/C28H40O6/c1-15-11-22(34-25(33)18(15)13-29)16(2)19-5-6-20-17-12-24(32)28(14-30)10-8-23(31)27(28,4)21(17)7-9-26(19,20)3/h14,16-17,19-22,24,29,32H,5-13H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1

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InChIKey

KPDWAMLYCQWFKU-GOXWLBPLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KPDWAMLYCQWFKU-GOXWLBPLSA-N

1 reference

(Q105144134)

(3aR,3bS,5aS,6R,8aS,8bS,10R,10aS)-10-hydroxy-6-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3a,5a-dimethyl-3-oxo-1,2,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[6,7-e]indene-10a-carbaldehyde

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