(Q105280700)

English

(2S,4aS,10aS)-2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

chemical compound

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instance of

type of chemical entity

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subclass of

2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

1 reference

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C1C2=CC(=C(O)C=C2C3(C)CCC(O)C(C)(C)C3C1)C(C)C

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isomeric SMILES

CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2=O

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found in taxon

Azadirachta indica

1 reference

stated in

Tricyclic diterpenoids from root bark of Azadirachta indica

Identifiers

InChI

InChI=1S/C20H28O3/c1-11(2)12-8-13-14(9-15(12)21)20(5)7-6-18(23)19(3,4)17(20)10-16(13)22/h8-9,11,17-18,21,23H,6-7,10H2,1-5H3/t17-,18+,20-/m1/s1

0 references

InChIKey

UXBNUAGRXXTYEY-WSTZPKSXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXBNUAGRXXTYEY-WSTZPKSXSA-N

(Q105280700)

(2S,4aS,10aS)-2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

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