(Q104936733)

English

(4aR,5S,6R,8aR)-5-[(3S)-5-hydroxy-3-(hydroxymethyl)pentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

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Statements

type of chemical entity

0 references

5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

338.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₄O₄

0 references

canonical SMILES

O=C(O)C1=CCCC2C1(C)CCC(C)C2(C)CCC(CO)CCO

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isomeric SMILES

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

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Rydingia limbata

1 reference

Two new diterpenoids from Ballota limbata.

Identifiers

InChI=1S/C20H34O4/c1-14-7-10-20(3)16(18(23)24)5-4-6-17(20)19(14,2)11-8-15(13-22)9-12-21/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24)/t14-,15+,17-,19+,20+/m1/s1

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BIRYTQFFNQPJBQ-UPSZCFJUSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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