(Q104935826)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

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

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isomeric SMILES

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

0 references

found in taxon

Plectranthus edulis

1 reference

stated in

Isolierung und Strukturaufklärung von 36 Diterpenoiden aus Trichomen vonPlectranthus edulis(VATKE) T.T. AYE

Identifiers

InChI

InChI=1S/C22H28O7/c1-10(9-29-11(2)23)12-15(24)13-14(18(27)16(12)25)22(5)8-6-7-21(3,4)20(22)19(28)17(13)26/h10,20,24-25,27H,6-9H2,1-5H3/t10-,20+,22-/m1/s1

0 references

InChIKey

BGZVSJZLXITKCI-NTWXWENJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BGZVSJZLXITKCI-NTWXWENJSA-N

(Q104935826)

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

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