(Q110193664)

English

(4R,4aS,4bR,7S,10R,10aS)-4,10-dihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-3,4,4b,5,6,7,10,10a-octahydro-2H-phenanthrene-4a-carbaldehyde

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

0 references

canonical SMILES

O=CC(=C)C1C=C2C(=O)C(O)C3C(C=O)(C(O)CCC3(C)C)C2CC1

0 references

isomeric SMILES

C=C(C=O)[C@@H]1C=C2C(=O)[C@H](O)[C@H]3C(C)(C)CC[C@@H](O)[C@]3(C=O)[C@H]2CC1

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found in taxon

Isodon rubescens

1 reference

stated in

ent-Abietane diterpenoids from Isodon rubescens var. rubescens.

Identifiers

InChI

InChI=1S/C20H26O5/c1-11(9-21)12-4-5-14-13(8-12)16(24)17(25)18-19(2,3)7-6-15(23)20(14,18)10-22/h8-10,12,14-15,17-18,23,25H,1,4-7H2,2-3H3/t12-,14-,15+,17-,18-,20-/m0/s1

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InChIKey

UVWPICUGQSIBQO-KTCJNYKFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVWPICUGQSIBQO-KTCJNYKFSA-N

(Q110193664)

(4R,4aS,4bR,7S,10R,10aS)-4,10-dihydroxy-1,1-dimethyl-9-oxo-7-(3-oxoprop-1-en-2-yl)-3,4,4b,5,6,7,10,10a-octahydro-2H-phenanthrene-4a-carbaldehyde

Statements

Identifiers

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