(Q104970938)

English

[(2S)-2-[(4bS,8aS)-1,3,4-trihydroxy-4b,8,8-trimethyl-9,10-dioxo-5,6,7,8a-tetrahydrophenanthren-2-yl]-3-hydroxypropyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

abietane diterpenoid

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mass

420.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C1C(=O)C2C(C3=C(O)C(O)=C(C(O)=C13)C(CO)COC(=O)C)(C)CCCC2(C)C

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isomeric SMILES

CC(=O)OC[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C

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found in taxon

Plectranthus garckeanus

1 reference

stated in

Strukturen von 13 Diterpenen (Coleonen) aus Blattdrüsen vonSolenostemon sylvaticusundColeus garckeanus (Labiatae)

Identifiers

InChI

InChI=1S/C22H28O8/c1-10(24)30-9-11(8-23)12-15(25)13-14(18(28)16(12)26)22(4)7-5-6-21(2,3)20(22)19(29)17(13)27/h11,20,23,25-26,28H,5-9H2,1-4H3/t11-,20-,22+/m0/s1

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InChIKey

CVPSSLJUCGVGDO-LJFLUMBXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CVPSSLJUCGVGDO-LJFLUMBXSA-N

(Q104970938)

[(2S)-2-[(4bS,8aS)-1,3,4-trihydroxy-4b,8,8-trimethyl-9,10-dioxo-5,6,7,8a-tetrahydrophenanthren-2-yl]-3-hydroxypropyl] acetate

Statements

Identifiers

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