(Q105025626)

English

(3R,4aR,6aR,7S,10aS,10bR)-3-[(1S)-1,2-dihydroxyethyl]-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-(1,2-dihydroxyethyl)-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

354.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,4aR,6aR,7S,10aS,10bR)-3-[(1R)-1,2-dihydroxyethyl]-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₄O₅

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C3CCC(OC3(C)CCC12)(C)C(O)CO

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isomeric SMILES

C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)([C@@H](O)CO)CC[C@H]21

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found in taxon

Juniperus thurifera

1 reference

stated in

Labdane acids from polar extracts of Juniperus thurifera

Tripterygium wilfordii

1 reference

stated in

Immunosuppressive terpenoids from extracts of Tripterygium wilfordii

Identifiers

InChI

InChI=1S/C20H34O5/c1-17-8-5-9-18(2,16(23)24)13(17)6-10-19(3)14(17)7-11-20(4,25-19)15(22)12-21/h13-15,21-22H,5-12H2,1-4H3,(H,23,24)/t13-,14-,15+,17+,18+,19-,20-/m1/s1

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InChIKey

HCDXIYYTHGLFFA-TXWGWWACSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HCDXIYYTHGLFFA-TXWGWWACSA-N

(Q105025626)

(3R,4aR,6aR,7S,10aS,10bR)-3-[(1S)-1,2-dihydroxyethyl]-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene-7-carboxylic acid

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Identifiers

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