(Q105122455)

English

[(3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-10,13-dimethyl-16-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(17-ethylidene-10,13-dimethyl-16-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

358.250794948 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₄O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CC(=O)C(=CC)C4(C)CCC32)C1)C

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isomeric SMILES

C/C=C1/C(=O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C

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found in taxon

Ailanthus integrifolia

1 reference

stated in

Steroids and terpenoids from the gum resin of Ailanthus grandis

Identifiers

InChI

InChI=1S/C23H34O3/c1-5-18-21(25)13-20-17-7-6-15-12-16(26-14(2)24)8-10-22(15,3)19(17)9-11-23(18,20)4/h5,15-17,19-20H,6-13H2,1-4H3/b18-5-/t15-,16+,17+,19-,20-,22-,23+/m0/s1

0 references

InChIKey

IXSGXUXGUNZCPE-NXVNVTKWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXSGXUXGUNZCPE-NXVNVTKWSA-N

(Q105122455)

[(3R,5S,8R,9S,10S,13S,14S,17E)-17-ethylidene-10,13-dimethyl-16-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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