(Q105154625)

English

methyl 2-[(4R,4aR,4bR,8aR,10aR)-4,10a-dihydroxy-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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instance of

type of chemical entity

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subclass of

Methyl 2-(4,10a-dihydroxy-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

362.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₅

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canonical SMILES

O=C(OC)C(=C)C1=CC2(O)CCC3C(C)(C)CCCC3(C)C2C(O)C1=O

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isomeric SMILES

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

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found in taxon

Euphorbia portulacoides

1 reference

stated in

Diterpenes and phloracetophenones from Euphorbia portulacoides

Identifiers

InChI

InChI=1S/C21H30O5/c1-12(18(24)26-5)13-11-21(25)10-7-14-19(2,3)8-6-9-20(14,4)17(21)16(23)15(13)22/h11,14,16-17,23,25H,1,6-10H2,2-5H3/t14-,16+,17+,20-,21-/m1/s1

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InChIKey

LOBYRCPBPVLZQV-WGMOTNOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LOBYRCPBPVLZQV-WGMOTNOQSA-N

(Q105154625)

methyl 2-[(4R,4aR,4bR,8aR,10aR)-4,10a-dihydroxy-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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