(Q104971327)

English

methyl 2-[(4aS,4bR,8aR,10aR)-10a-hydroxy-4b,8,8-trimethyl-3-oxo-4,4a,5,6,7,8a,9,10-octahydrophenanthren-2-yl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 2-(10a-hydroxy-4b,8,8-trimethyl-3-oxo-4,4a,5,6,7,8a,9,10-octahydrophenanthren-2-yl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

346.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₄

0 references

canonical SMILES

O=C(OC)C(=C)C1=CC2(O)CCC3C(C)(C)CCCC3(C)C2CC1=O

0 references

isomeric SMILES

C=C(C(=O)OC)C1=C[C@]2(O)CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]2CC1=O

0 references

found in taxon

Euphorbia portulacoides

1 reference

stated in

Diterpenes and phloracetophenones from Euphorbia portulacoides

Identifiers

InChI

InChI=1S/C21H30O4/c1-13(18(23)25-5)14-12-21(24)10-7-16-19(2,3)8-6-9-20(16,4)17(21)11-15(14)22/h12,16-17,24H,1,6-11H2,2-5H3/t16-,17+,20-,21-/m1/s1

0 references

InChIKey

CWKRHQIGIYSCTH-HRQSHJORSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWKRHQIGIYSCTH-HRQSHJORSA-N

(Q104971327)

methyl 2-[(4aS,4bR,8aR,10aR)-10a-hydroxy-4b,8,8-trimethyl-3-oxo-4,4a,5,6,7,8a,9,10-octahydrophenanthren-2-yl]prop-2-enoate

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Identifiers

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