(Q105285963)

English

[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4Z)-deca-2,4-dienoate

chemical compound

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instance of

type of chemical entity

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subclass of

3a,6,6,9a,11a-pentamethyl-1-(6-methylhept-5-en-2-yl)-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-7-yl (2E)-deca-2,4-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

576.490631288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄O₂

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canonical SMILES

O=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C)CCC=C(C)C)C4(C)CC3)C)C=CC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C=C\C(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3

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found in taxon

Euphorbia nicaeensis

1 reference

stated in

Über Inhaltsstoffe von Euphorbiaceae, 8. Mitt. [1]. Triterpenester und Triterpenalkohole aus Euphorbia biglandulosa Desf. / Constituents of Euphorbiaceae, 8. Comm. [1]. Triterpen Esters and Triterpen Alcohols from Euphorbia biglandulosa Desf.

Euphorbia rigida

1 reference

stated in

Über Inhaltsstoffe von Euphorbiaceae, 8. Mitt. [1]. Triterpenester und Triterpenalkohole aus Euphorbia biglandulosa Desf. / Constituents of Euphorbiaceae, 8. Comm. [1]. Triterpen Esters and Triterpen Alcohols from Euphorbia biglandulosa Desf.

Identifiers

InChI

InChI=1S/C40H64O2/c1-10-11-12-13-14-15-16-20-36(41)42-35-25-26-38(7)32-24-28-39(8)31(30(4)19-17-18-29(2)3)23-27-40(39,9)33(32)21-22-34(38)37(35,5)6/h14-16,18,20,30-31,34-35H,10-13,17,19,21-28H2,1-9H3/b15-14-,20-16+/t30-,31-,34+,35+,38-,39-,40+/m1/s1

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InChIKey

VGQMDHKVLBLGLO-IGXIHMQKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VGQMDHKVLBLGLO-IGXIHMQKSA-N

(Q105285963)

[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4Z)-deca-2,4-dienoate

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